G4LVD7_SCHMA Loading...

Adenosine deaminase-related

AlphaFold DB , UniProt , Accession G4LVD7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.1Low90.9Very high126 Ų12656.3 Ų56.362%0.62126%0.258SS*.  0135.50-166.2169.6-79.400109.5T286 S288M1-T286 HydrophobicContact CE-CG2 4.34Å; M1-T286 WeakPolarHBondContact CE-OG1 3.5Å; M1-S288 WeakPolarHBondContact SD-CB 3.5Å
2N80.6Confident91.6Very high79 Ų7951.6 Ų51.642%0.42224%0.237SC..  trans-65.5133.4178.6-177.6-22.4000110.2F4 Y5 H6N2-F4 PolarHBondContact O-N 3.1Å; N2-F4 VanDerWaalsContact O-N 3.15Å; N2-F4 WeakPolarHBondContact OD1-CB 3.34Å; N2-F4 PolarHBondContact OD1-N 3.07Å; N2-Y5 HydrophobicContact CB-CD2 3.72Å; N2-Y5 HydrophobicContact CB-CE2 3.98Å; N2-Y5 PolarHBondContact O-N 3.35Å; N2-H6 PolarHBondContact O-N 3.35Å
3R89.2Confident92.1Very high207 Ų20747.6 Ų47.678%0.78122%0.219SC*.Hα-helixtrans-56.4-29179.7-74.1-175177.8177.4-0.4112.8N7R3-N7 VanDerWaalsContact O-CB 3.3Å; R3-N7 WeakPolarHBondContact O-CB 3.42Å; R3-N7 VanDerWaalsContact O-CG 3.31Å; R3-N7 PolarHBondContact O-N 3.24Å; R3-N7 PolarHBondContact O-ND2 3.19Å
4F91.5Very high92.6Very high27 Ų2744.2 Ų44.212%0.11820%0.203CC..Hα-helixtrans-57.6-60.5174.3177.8-100.3000111.2N2 H6 N7 L8 L305 Y333 F337N2-F4 PolarHBondContact O-N 3.1Å; N2-F4 VanDerWaalsContact O-N 3.15Å; N2-F4 WeakPolarHBondContact OD1-CB 3.34Å; N2-F4 PolarHBondContact OD1-N 3.07Å; F4-H6 VanDerWaalsContact C-N 3.29Å; F4-H6 PolarHBondContact O-N 3.28Å; F4-N7 PolarHBondContact O-N 2.6Å; F4-L8 WeakPolarHBondContact O-CB 3.01Å; F4-L8 PolarHBondContact O-N 3.16Å; F4-L305 HydrophobicContact CE1-CD1 4.47Å; F4-Y333 HydrophobicContact CD2-CE1 4.06Å; F4-Y333 AromaticContact CE2-CE1 3.67Å; F4-Y333 HydrophobicContact CE2-CE1 3.67Å; F4-Y333 HydrophobicContact CZ-CE1 4.21Å; F4-Y333 PolarHBondContact O-OH 3.13Å; F4-F337 AromaticContact CD2-CD1 3.82Å; F4-F337 HydrophobicContact CD2-CD1 3.82Å; F4-F337 HydrophobicContact CD2-CD2 4.18Å; F4-F337 AromaticContact CD2-CE1 3.56Å; F4-F337 HydrophobicContact CD2-CE1 3.56Å; F4-F337 AromaticContact CD2-CE2 4Å; F4-F337 HydrophobicContact CD2-CE2 4Å; F4-F337 HydrophobicContact CD2-CG 4.13Å; F4-F337 AromaticContact CD2-CZ 3.66Å; F4-F337 HydrophobicContact CD2-CZ 3.66Å; F4-F337 AromaticContact CE2-CD1 3.97Å; F4-F337 HydrophobicContact CE2-CD1 3.97Å; F4-F337 AromaticContact CE2-CD2 3.89Å; F4-F337 HydrophobicContact CE2-CD2 3.89Å; F4-F337 HydrophobicContact CE2-CE1 4.14Å; F4-F337 HydrophobicContact CE2-CE2 4.11Å; F4-F337 AromaticContact CE2-CG 3.85Å; F4-F337 HydrophobicContact CE2-CG 3.85Å; F4-F337 HydrophobicContact CE2-CZ 4.21Å
5Y94.2Very high93Very high15 Ų1541.3 Ų41.36%0.05919%0.189CC..Hα-helixtrans-64.3-34.7-177.1-54.6-63.3000112.8N2 L8 K10 S288 F291 Q292 V295 L305N2-Y5 HydrophobicContact CB-CD2 3.72Å; N2-Y5 HydrophobicContact CB-CE2 3.98Å; N2-Y5 PolarHBondContact O-N 3.35Å; Y5-L8 WeakPolarHBondContact O-CB 3.32Å; Y5-L8 PolarHBondContact O-N 2.99Å; Y5-K10 PolarHBondContact O-NZ 2.98Å; Y5-S288 WeakPolarHBondContact CB-O 3.49Å; Y5-S288 PolarHBondContact O-OG 3.48Å; Y5-F291 HydrophobicContact CD1-CB 4.06Å; Y5-Q292 HydrophobicContact CD2-CB 3.42Å; Y5-Q292 VanDerWaalsContact CD2-CB 3.42Å; Y5-Q292 HydrophobicContact CD2-CG 3.7Å; Y5-Q292 HydrophobicContact CE2-CB 3.62Å; Y5-Q292 HydrophobicContact CE2-CG 3.53Å; Y5-Q292 HydrophobicContact CG-CB 4Å; Y5-V295 HydrophobicContact CE1-CG2 4.02Å; Y5-V295 WeakPolarHBondContact OH-CB 3.26Å; Y5-V295 WeakPolarHBondContact OH-CG1 3.44Å; Y5-V295 WeakPolarHBondContact OH-CG2 3.24Å; Y5-L305 HydrophobicContact CE1-CD1 4.21Å
6H95.6Very high93.4Very high73 Ų7339.9 Ų39.934%0.33818%0.183SC..Hα-helixtrans-64.3-43.1176.5-171.673.8000112.1N2 F4 K10 Q85 E86 N87N2-H6 PolarHBondContact O-N 3.35Å; F4-H6 VanDerWaalsContact C-N 3.29Å; F4-H6 PolarHBondContact O-N 3.28Å; H6-K10 PolarHBondContact O-NZ 3.03Å; H6-Q85 PolarHBondContact CE1-O 3.32Å; H6-Q85 PolarHBondContact NE2-O 3.14Å; H6-E86 CarbonylContact O-C 3.59Å; H6-N87 WeakPolarHBondContact O-CB 3.47Å
7N95.8Very high93.7Very high83 Ų8337.5 Ų37.544%0.44417%0.172SC..Hα-helixtrans-85.3-7.8-179.2-67-15.8000113.8R3 F4 P9 N87 Y333R3-N7 VanDerWaalsContact O-CB 3.3Å; R3-N7 WeakPolarHBondContact O-CB 3.42Å; R3-N7 VanDerWaalsContact O-CG 3.31Å; R3-N7 PolarHBondContact O-N 3.24Å; R3-N7 PolarHBondContact O-ND2 3.19Å; F4-N7 PolarHBondContact O-N 2.6Å; N7-P9 WeakPolarHBondContact O-CD 3.23Å; N7-N87 PolarHBondContact O-ND2 3.48Å; N7-Y333 HydrophobicContact CB-CE2 4Å; N7-Y333 WeakPolarHBondContact O-CE2 3.37Å
8L95.8Very high93.7Very high0 Ų036.1 Ų36.10%017%0.167CC..SBendtrans-62.6125.9176.9-179.363000110.1F4 Y5 K10 F291 L309 Y333 F334F4-L8 WeakPolarHBondContact O-CB 3.01Å; F4-L8 PolarHBondContact O-N 3.16Å; Y5-L8 WeakPolarHBondContact O-CB 3.32Å; Y5-L8 PolarHBondContact O-N 2.99Å; L8-K10 HydrophobicContact CB-CG 4.3Å; L8-K10 HydrophobicContact CD2-CD 4.45Å; L8-K10 HydrophobicContact CD2-CG 4.16Å; L8-K10 HydrophobicContact CG-CG 4.01Å; L8-K10 WeakPolarHBondContact O-CG 3.42Å; L8-K10 PolarHBondContact O-N 3.23Å; L8-K10 PolarHBondContact O-NZ 3.28Å; L8-F291 HydrophobicContact CD2-CD1 4.02Å; L8-F291 HydrophobicContact CD2-CE1 4.4Å; L8-F291 HydrophobicContact CD2-CG 4.27Å; L8-L309 HydrophobicContact CD1-CD1 3.77Å; L8-L309 HydrophobicContact CD2-CD1 4.01Å; L8-L309 HydrophobicContact CG-CD1 4.02Å; L8-Y333 HydrophobicContact CB-CE1 4.1Å; L8-Y333 HydrophobicContact CD1-CD1 3.54Å; L8-Y333 HydrophobicContact CD1-CE1 3.51Å; L8-Y333 HydrophobicContact CG-CE1 4.43Å; L8-Y333 PolarHBondContact N-OH 3.02Å; L8-F334 HydrophobicContact CD1-CD2 4.43Å; L8-F334 HydrophobicContact CD1-CE2 3.6Å; L8-F334 HydrophobicContact CD1-CZ 4.02Å
9P98Very high93.8Very high9 Ų934.2 Ų34.26%0.05816%0.159CC..  trans-66.8116.5172.4-17.329.8000109.5N7 N87 I89 I330 Y333N7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-N87 WeakPolarHBondContact CA-O 3.5Å; P9-I89 HydrophobicContact CB-CD1 3.73Å; P9-I89 HydrophobicContact CB-CG1 4.18Å; P9-I89 HydrophobicContact CB-CG2 4.16Å; P9-I330 HydrophobicContact CB-CG1 4.23Å; P9-Y333 HydrophobicContact CG-CD2 4.23Å; P9-Y333 HydrophobicContact CG-CG 4.13Å
10K98.4Very high94Very high0 Ų032.5 Ų32.50%015%0.151CC..EExtended strand (participates in β ladder)trans-117.5157.4-172.1-70.5172-59.1-72.50112.6Y5 H6 L8 E86 N87 V88 I89 L287 S288 F291 L309Y5-K10 PolarHBondContact O-NZ 2.98Å; H6-K10 PolarHBondContact O-NZ 3.03Å; L8-K10 HydrophobicContact CB-CG 4.3Å; L8-K10 HydrophobicContact CD2-CD 4.45Å; L8-K10 HydrophobicContact CD2-CG 4.16Å; L8-K10 HydrophobicContact CG-CG 4.01Å; L8-K10 WeakPolarHBondContact O-CG 3.42Å; L8-K10 PolarHBondContact O-N 3.23Å; L8-K10 PolarHBondContact O-NZ 3.28Å; K10-E86 WeakPolarHBondContact CE-O 3.43Å; K10-E86 PolarHBondContact NZ-O 3.32Å; K10-N87 PolarHBondContact N-O 3.36Å; K10-V88 HydrophobicContact CB-CG2 4.4Å; K10-V88 WeakPolarHBondContact O-CA 3.33Å; K10-I89 VanDerWaalsContact O-CG1 3.3Å; K10-I89 WeakPolarHBondContact O-CG1 3.17Å; K10-I89 PolarHBondContact O-N 2.65Å; K10-L287 HydrophobicContact CB-CD2 3.73Å; K10-L287 HydrophobicContact CB-CG 4.39Å; K10-L287 HydrophobicContact CD-CB 4.46Å; K10-L287 HydrophobicContact CD-CD2 4.29Å; K10-L287 HydrophobicContact CD-CG 4.04Å; K10-L287 HydrophobicContact CG-CD2 4.49Å; K10-S288 WeakPolarHBondContact CE-OG 3.42Å; K10-S288 PolarHBondContact NZ-OG 3.02Å; K10-S288 VanDerWaalsContact NZ-OG 3.16Å; K10-F291 HydrophobicContact CB-CE2 4.41Å; K10-F291 HydrophobicContact CD-CD2 3.58Å; K10-F291 HydrophobicContact CD-CE2 3.87Å; K10-F291 HydrophobicContact CD-CG 4.34Å; K10-F291 HydrophobicContact CG-CD2 4.05Å; K10-F291 HydrophobicContact CG-CE2 3.86Å; K10-F291 HydrophobicContact CG-CZ 4.46Å; K10-L309 HydrophobicContact CG-CD2 4.41Å
11I98.8Very high94.1Very high0 Ų031.2 Ų31.20%015%0.145CC..EExtended strand (participates in β ladder)trans-121.1114.4179.6-51.4-62.4000107.4L13 I89 L90 V313 L326 I330I11-L13 HydrophobicContact CG2-CD2 3.55Å; I11-L13 HydrophobicContact CG2-CG 3.94Å; I11-I89 HydrophobicContact CD1-CD1 4.09Å; I11-I89 HydrophobicContact CD1-CG1 3.78Å; I11-L90 HydrophobicContact CD1-CB 3.81Å; I11-L90 HydrophobicContact CG2-CB 4.3Å; I11-L90 HydrophobicContact CG2-CD2 3.83Å; I11-V313 HydrophobicContact CD1-CG2 4.18Å; I11-V313 HydrophobicContact CG1-CG2 3.99Å; I11-L326 HydrophobicContact CD1-CB 4.22Å; I11-L326 HydrophobicContact CD1-CD1 3.9Å; I11-L326 HydrophobicContact CD1-CD2 4.12Å; I11-L326 HydrophobicContact CD1-CG 4.29Å; I11-I330 HydrophobicContact CD1-CD1 4.42Å; I11-I330 HydrophobicContact CG1-CD1 4.19Å
12E98.9Very high95.5Very high0 Ų025.7 Ų25.70%012%0.119CC..EExtended strand (participates in β ladder)trans-96.6121.1173.718053.1-81.900108.8H14 A15 F83 V88 L90 L91 E92 C276 T277 L287E12-H14 PolarHBondContact OE1-N 3.07Å; E12-A15 HydrophobicContact CG-CB 3.6Å; E12-F83 HydrophobicContact CG-CE1 4.02Å; E12-F83 HydrophobicContact CG-CZ 4.17Å; E12-V88 HydrophobicContact CB-CG1 4.04Å; E12-L90 PolarHBondContact N-O 3.32Å; E12-L91 HydrophobicContact CB-CD1 3.79Å; E12-L91 HydrophobicContact CG-CD1 3.51Å; E12-L91 CarbonylContact O-C 3.56Å; E12-L91 WeakPolarHBondContact O-CA 3.5Å; E12-E92 PolarHBondContact O-N 2.9Å; E12-C276 WeakPolarHBondContact OE1-CA 3.48Å; E12-C276 VanDerWaalsContact OE1-CB 3.23Å; E12-C276 WeakPolarHBondContact OE1-CB 3.32Å; E12-C276 PolarHBondContact OE1-SG 3.46Å; E12-T277 WeakPolarHBondContact OE2-CB 3.35Å; E12-T277 WeakPolarHBondContact OE2-CG2 3.17Å; E12-T277 PolarHBondContact OE2-N 3.29Å; E12-T277 PolarHBondContact OE2-OG1 3.39Å; E12-L287 HydrophobicContact CB-CD2 3.92Å
13L98.9Very high96Very high0 Ų025 Ų250%012%0.115CC..EExtended strand (participates in β ladder)trans-113.6-10.5-178.5-59.5-174.1000112.7I11 L90 E92 R94 C274 M315 A316I11-L13 HydrophobicContact CG2-CD2 3.55Å; I11-L13 HydrophobicContact CG2-CG 3.94Å; L13-L90 HydrophobicContact CD2-CD2 3.87Å; L13-E92 HydrophobicContact CD2-CG 3.67Å; L13-R94 PolarHBondContact O-NH2 2.89Å; L13-C274 HydrophobicContact CD1-CB 4.18Å; L13-M315 HydrophobicContact CD1-CB 3.58Å; L13-M315 HydrophobicContact CD1-CE 4.12Å; L13-A316 HydrophobicContact CD2-CB 3.99Å
14H98.9Very high96.2Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-143.882.3-176-167.4143.6000110.1E12 H16 R94 H192 H217 E243 C276 D278E12-H14 PolarHBondContact OE1-N 3.07Å; H14-H16 AromaticContact CD2-NE2 3.54Å; H14-H16 AromaticContact NE2-CD2 4Å; H14-H16 AromaticContact NE2-CE1 3.84Å; H14-H16 AromaticContact NE2-NE2 3.1Å; H14-H16 PolarHBondContact NE2-NE2 3.12Å; H14-H16 VanDerWaalsContact NE2-NE2 3.1Å; H14-R94 VanDerWaalsContact CA-NH2 3.3Å; H14-R94 VanDerWaalsContact CB-NH2 3.34Å; H14-R94 VanDerWaalsContact CG-CZ 3.46Å; H14-R94 PolarHBondContact ND1-NH1 2.96Å; H14-H192 AromaticContact CE1-CD2 3.88Å; H14-H192 AromaticContact CE1-CE1 3.06Å; H14-H192 PolarHBondContact CE1-CE1 3.44Å; H14-H192 AromaticContact CE1-ND1 3.81Å; H14-H192 AromaticContact CE1-NE2 3.08Å; H14-H192 PolarHBondContact CE1-NE2 3.43Å; H14-H192 AromaticContact NE2-CE1 3.13Å; H14-H192 PolarHBondContact NE2-CE1 2.95Å; H14-H192 AromaticContact NE2-NE2 2.92Å; H14-H192 PolarHBondContact NE2-NE2 2.84Å; H14-H217 AromaticContact CE1-NE2 3.87Å; H14-E243 HydrophobicContact CB-CB 4.03Å; H14-E243 HydrophobicContact CB-CG 4.42Å; H14-E243 IonicContact CE1-OE2 3.76Å; H14-E243 IonicContact CG-OE2 2.68Å; H14-E243 IonicContact ND1-OE2 3.73Å; H14-E243 PolarHBondContact ND1-OE2 2.8Å; H14-C276 HydrophobicContact CB-CB 3.61Å; H14-D278 IonicContact CD2-OD1 2.88Å; H14-D278 PolarHBondContact CD2-OD1 3.36Å; H14-D278 IonicContact NE2-OD1 3.24Å; H14-D278 PolarHBondContact NE2-OD1 3.46Å; H14-D278 VanDerWaalsContact O-CA 3.25Å; H14-D278 WeakPolarHBondContact O-CA 3.47Å; H14-D278 PolarHBondContact O-N 3.26Å
15A98.8Very high96.4Very high0 Ų016.6 Ų16.60%09%0.093CC..EExtended strand (participates in β ladder)trans-131.5116172.300000110.4E12 F83 L91 R94 D278E12-A15 HydrophobicContact CG-CB 3.6Å; A15-F83 HydrophobicContact CB-CE2 3.83Å; A15-F83 HydrophobicContact CB-CZ 3.56Å; A15-L91 HydrophobicContact CB-CD1 3.91Å; A15-R94 WeakPolarHBondContact O-CG 3.31Å; A15-R94 PolarHBondContact O-N 3.28Å; A15-D278 CarbonylContact C-O 3.54Å; A15-D278 VanDerWaalsContact CA-O 3.31Å; A15-D278 WeakPolarHBondContact CA-O 3.36Å
16H98.5Very high96.3Very high19 Ų1915.9 Ų15.99%0.0889%0.091CC..EExtended strand (participates in β ladder)trans-79.8131174.2-53.7-92.3000109.8H14 S18 G19 S20 R94 H192 D278 D279H14-H16 AromaticContact CD2-NE2 3.54Å; H14-H16 AromaticContact NE2-CD2 4Å; H14-H16 AromaticContact NE2-CE1 3.84Å; H14-H16 AromaticContact NE2-NE2 3.1Å; H14-H16 PolarHBondContact NE2-NE2 3.12Å; H14-H16 VanDerWaalsContact NE2-NE2 3.1Å; H16-S18 PolarHBondContact O-N 2.85Å; H16-G19 PolarHBondContact O-N 3.34Å; H16-S20 VanDerWaalsContact O-CB 3.29Å; H16-S20 WeakPolarHBondContact O-CB 3.45Å; H16-S20 PolarHBondContact O-N 3.11Å; H16-S20 PolarHBondContact O-OG 2.97Å; H16-R94 WeakPolarHBondContact CA-O 3.26Å; H16-R94 HydrophobicContact CB-CG 4.34Å; H16-R94 WeakPolarHBondContact CE1-CD 3.45Å; H16-R94 WeakPolarHBondContact ND1-CD 3.31Å; H16-R94 WeakPolarHBondContact ND1-CG 3.3Å; H16-H192 AromaticContact CE1-CE1 3.62Å; H16-H192 AromaticContact CE1-NE2 3.47Å; H16-H192 PolarHBondContact CE1-NE2 2.88Å; H16-H192 AromaticContact NE2-CE1 3.88Å; H16-H192 AromaticContact NE2-NE2 3.42Å; H16-H192 PolarHBondContact NE2-NE2 3.18Å; H16-D278 PolarHBondContact CD2-O 3.13Å; H16-D278 IonicContact CD2-OD1 2.98Å; H16-D278 PolarHBondContact CD2-OD1 3.26Å; H16-D278 PolarHBondContact N-O 2.74Å; H16-D278 IonicContact NE2-OD1 3.72Å; H16-D278 PolarHBondContact NE2-OD1 3.34Å; H16-D279 WeakPolarHBondContact CB-OD1 3.4Å; H16-D279 IonicContact CD2-OD1 3.27Å; H16-D279 IonicContact CD2-OD2 2.67Å; H16-D279 IonicContact CG-OD1 3.61Å
17L98.4Very high96.2Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-55.3-52.4-178.1172.755.8000111.4G19 S20 I21 L72 V79 L93 R94 V110L17-G19 PolarHBondContact O-N 3.09Å; L17-S20 PolarHBondContact O-N 3.47Å; L17-S20 VanDerWaalsContact O-N 3.14Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.38Å; L17-L72 HydrophobicContact CD2-CD1 3.82Å; L17-V79 HydrophobicContact CD1-CB 4.24Å; L17-V79 HydrophobicContact CD1-CG2 4.04Å; L17-L93 HydrophobicContact CB-CD1 3.93Å; L17-L93 HydrophobicContact CB-CD2 4.42Å; L17-L93 HydrophobicContact CB-CG 4.18Å; L17-L93 HydrophobicContact CD1-CD1 4.33Å; L17-L93 HydrophobicContact CD1-CD2 4.18Å; L17-R94 PolarHBondContact N-O 3.29Å; L17-V110 HydrophobicContact CD2-CG1 4.25Å; L17-V110 HydrophobicContact CD2-CG2 3.8Å
18S95.2Very high96.2Very high11 Ų1120.5 Ų20.58%0.07710%0.102CC..Hα-helixtrans-60.2-45.4-176.443.20000112.9H16 S20 I21 I62H16-S18 PolarHBondContact O-N 2.85Å; S18-S20 PolarHBondContact O-N 3.42Å; S18-I21 PolarHBondContact O-N 3.09Å; S18-I62 WeakPolarHBondContact O-CG2 3.46Å
19G94.8Very high96.1Very high1 Ų121.4 Ų21.41%0.0111%0.107CC..Hα-helixtrans-78.6-6179.500000114.2H16 L17 D279 S281 L282H16-G19 PolarHBondContact O-N 3.34Å; L17-G19 PolarHBondContact O-N 3.09Å; G19-D279 VanDerWaalsContact CA-OD1 3.28Å; G19-D279 WeakPolarHBondContact CA-OD1 3.3Å; G19-D279 CarbonylContact O-C 3.4Å; G19-S281 WeakPolarHBondContact O-CA 3.13Å; G19-S281 WeakPolarHBondContact O-CB 3.49Å; G19-S281 PolarHBondContact O-N 3.43Å; G19-L282 PolarHBondContact O-N 3.47Å
20S97Very high95.9Very high0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-93.8-12.5174.3-60.70000113.6H16 L17 S18 S22 S281H16-S20 VanDerWaalsContact O-CB 3.29Å; H16-S20 WeakPolarHBondContact O-CB 3.45Å; H16-S20 PolarHBondContact O-N 3.11Å; H16-S20 PolarHBondContact O-OG 2.97Å; L17-S20 PolarHBondContact O-N 3.47Å; L17-S20 VanDerWaalsContact O-N 3.14Å; S18-S20 PolarHBondContact O-N 3.42Å; S20-S22 PolarHBondContact O-N 3.03Å; S20-S281 PolarHBondContact O-OG 3.36Å
21I95.9Very high95.6Very high6 Ų628.4 Ų28.43%0.03114%0.143CC..  trans-68.6116.4-179.9-51.9171000110.2L17 S18 F25 W26 I62 I66 A75 V79 S281L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.38Å; S18-I21 PolarHBondContact O-N 3.09Å; I21-F25 HydrophobicContact CG2-CB 3.99Å; I21-F25 HydrophobicContact CG2-CD1 3.21Å; I21-F25 HydrophobicContact CG2-CE1 3.88Å; I21-F25 HydrophobicContact CG2-CG 3.78Å; I21-W26 HydrophobicContact CB-CZ2 3.91Å; I21-W26 HydrophobicContact CD1-CH2 4.08Å; I21-W26 HydrophobicContact CD1-CZ2 3.59Å; I21-W26 HydrophobicContact CG1-CZ2 4.33Å; I21-W26 HydrophobicContact CG2-CD2 4.11Å; I21-W26 HydrophobicContact CG2-CH2 4.28Å; I21-W26 HydrophobicContact CG2-CZ2 3.51Å; I21-I62 HydrophobicContact CD1-CG2 4.49Å; I21-I66 HydrophobicContact CD1-CD1 3.93Å; I21-I66 HydrophobicContact CD1-CG1 4.37Å; I21-A75 HydrophobicContact CD1-CB 3.76Å; I21-A75 HydrophobicContact CG1-CB 4.08Å; I21-A75 HydrophobicContact CG2-CB 4.29Å; I21-V79 HydrophobicContact CG1-CG2 4.15Å; I21-S281 WeakPolarHBondContact O-CB 3.45Å
22S93.4Very high95.3Very high10 Ų1034.4 Ų34.47%0.0718%0.18CC..  trans-73.1151.7-172.968.20000113.7S20 A24 F25 W26 E82 S281S20-S22 PolarHBondContact O-N 3.03Å; S22-A24 PolarHBondContact O-N 3.45Å; S22-F25 WeakPolarHBondContact O-CB 3.33Å; S22-F25 PolarHBondContact O-N 3.23Å; S22-F25 PolarHBondContact OG-N 3.46Å; S22-F25 VanDerWaalsContact OG-N 3.15Å; S22-W26 VanDerWaalsContact O-CD1 3.26Å; S22-W26 PolarHBondContact O-N 3.31Å; S22-W26 VanDerWaalsContact O-N 3.14Å; S22-E82 VanDerWaalsContact CB-OE1 3.22Å; S22-E82 WeakPolarHBondContact CB-OE1 3.48Å; S22-E82 PolarHBondContact OG-OE1 3.36Å; S22-S281 VanDerWaalsContact CA-OG 3.22Å; S22-S281 WeakPolarHBondContact CA-OG 3.34Å; S22-S281 PolarHBondContact N-OG 2.67Å
23L90.2Very high94.9Very high65 Ų6536 Ų3634%0.3419%0.188SC..Hα-helixtrans-57.4-31.6169.5-178.760.9000111.6W26 K27 F45L23-W26 PolarHBondContact O-N 3.3Å; L23-K27 HydrophobicContact CD1-CG 4.46Å; L23-K27 HydrophobicContact CG-CD 4.25Å; L23-K27 HydrophobicContact CG-CG 4.43Å; L23-K27 WeakPolarHBondContact O-CB 3.41Å; L23-K27 VanDerWaalsContact O-CG 3.3Å; L23-K27 WeakPolarHBondContact O-CG 3.41Å; L23-K27 PolarHBondContact O-N 3.35Å; L23-F45 HydrophobicContact CD1-CD2 4.09Å; L23-F45 HydrophobicContact CD1-CE2 3.97Å
24A92.8Very high94.5Very high52 Ų5245.7 Ų45.743%0.4323%0.225SC..Hα-helixtrans-63.4-40174.700000112.2S22 R28S22-A24 PolarHBondContact O-N 3.45Å; A24-R28 WeakPolarHBondContact O-CG 3.27Å; A24-R28 PolarHBondContact O-N 2.85Å
25F95.5Very high94.1Very high4 Ų449.5 Ų49.52%0.01825%0.245CC..Hα-helixtrans-60.3-51.8171.5173.6-92.7000111.1I21 S22 K27 R28 E29 I71 R74 A75I21-F25 HydrophobicContact CG2-CB 3.99Å; I21-F25 HydrophobicContact CG2-CD1 3.21Å; I21-F25 HydrophobicContact CG2-CE1 3.88Å; I21-F25 HydrophobicContact CG2-CG 3.78Å; S22-F25 WeakPolarHBondContact O-CB 3.33Å; S22-F25 PolarHBondContact O-N 3.23Å; S22-F25 PolarHBondContact OG-N 3.46Å; S22-F25 VanDerWaalsContact OG-N 3.15Å; F25-K27 VanDerWaalsContact C-N 3.31Å; F25-K27 PolarHBondContact O-N 3.48Å; F25-R28 WeakPolarHBondContact O-CB 3.49Å; F25-R28 PolarHBondContact O-N 3.16Å; F25-E29 HydrophobicContact CD1-CG 4.11Å; F25-E29 HydrophobicContact CE1-CG 3.56Å; F25-E29 HydrophobicContact CE2-CG 4.02Å; F25-E29 HydrophobicContact CZ-CG 3.49Å; F25-E29 VanDerWaalsContact CZ-CG 3.49Å; F25-E29 PolarHBondContact O-N 3.39Å; F25-I71 HydrophobicContact CE1-CG2 4.47Å; F25-I71 HydrophobicContact CZ-CG2 4.49Å; F25-R74 VanDerWaalsContact CE2-C 3.49Å; F25-R74 HydrophobicContact CE2-CB 3.89Å; F25-R74 HydrophobicContact CZ-CB 4.13Å; F25-A75 HydrophobicContact CD1-CB 4.4Å; F25-A75 HydrophobicContact CE1-CB 3.68Å; F25-A75 VanDerWaalsContact CE2-CA 3.49Å; F25-A75 HydrophobicContact CE2-CB 4.15Å; F25-A75 VanDerWaalsContact CZ-CA 3.41Å; F25-A75 HydrophobicContact CZ-CB 3.55Å
26W93.9Very high93.8Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-62.2-36.9-178.4-64.5124.4000113.3I21 S22 L23 R28 E29 S30 I36 I40 I62 L65 I66 I71I21-W26 HydrophobicContact CB-CZ2 3.91Å; I21-W26 HydrophobicContact CD1-CH2 4.08Å; I21-W26 HydrophobicContact CD1-CZ2 3.59Å; I21-W26 HydrophobicContact CG1-CZ2 4.33Å; I21-W26 HydrophobicContact CG2-CD2 4.11Å; I21-W26 HydrophobicContact CG2-CH2 4.28Å; I21-W26 HydrophobicContact CG2-CZ2 3.51Å; S22-W26 VanDerWaalsContact O-CD1 3.26Å; S22-W26 PolarHBondContact O-N 3.31Å; S22-W26 VanDerWaalsContact O-N 3.14Å; L23-W26 PolarHBondContact O-N 3.3Å; W26-R28 VanDerWaalsContact C-N 3.32Å; W26-R28 PolarHBondContact O-N 3.18Å; W26-E29 PolarHBondContact O-N 3.11Å; W26-S30 WeakPolarHBondContact O-CB 3.38Å; W26-S30 PolarHBondContact O-N 3.45Å; W26-I36 HydrophobicContact CE3-CD1 4.46Å; W26-I36 HydrophobicContact CE3-CG2 4.27Å; W26-I36 HydrophobicContact CZ3-CD1 4.34Å; W26-I40 HydrophobicContact CB-CG2 3.91Å; W26-I40 HydrophobicContact CG-CG2 4.49Å; W26-I62 HydrophobicContact CZ2-CG2 4.15Å; W26-L65 HydrophobicContact CD2-CB 4.46Å; W26-L65 HydrophobicContact CD2-CD1 3.76Å; W26-L65 HydrophobicContact CE3-CB 4.01Å; W26-L65 HydrophobicContact CE3-CD1 4.06Å; W26-L65 HydrophobicContact CG-CD1 4.21Å; W26-L65 HydrophobicContact CH2-CB 3.5Å; W26-L65 HydrophobicContact CH2-CD1 4.36Å; W26-L65 HydrophobicContact CZ2-CB 3.96Å; W26-L65 HydrophobicContact CZ2-CD1 4.05Å; W26-L65 HydrophobicContact CZ3-CB 3.53Å; W26-L65 HydrophobicContact CZ3-CD1 4.36Å; W26-L65 HydrophobicContact CZ3-CG 4.48Å; W26-I66 HydrophobicContact CH2-CG1 3.84Å; W26-I66 HydrophobicContact CZ2-CG1 4.45Å; W26-I71 HydrophobicContact CH2-CG2 4.49Å; W26-I71 HydrophobicContact CZ3-CG2 4.07Å
27K92.6Very high93.4Very high124 Ų12453.3 Ų53.354%0.53926%0.263SS..Hα-helixtrans-60-39.2172.4-77.7174.4177.2174.10111.9L23 F25 S30 I40L23-K27 HydrophobicContact CD1-CG 4.46Å; L23-K27 HydrophobicContact CG-CD 4.25Å; L23-K27 HydrophobicContact CG-CG 4.43Å; L23-K27 WeakPolarHBondContact O-CB 3.41Å; L23-K27 VanDerWaalsContact O-CG 3.3Å; L23-K27 WeakPolarHBondContact O-CG 3.41Å; L23-K27 PolarHBondContact O-N 3.35Å; F25-K27 VanDerWaalsContact C-N 3.31Å; F25-K27 PolarHBondContact O-N 3.48Å; K27-S30 PolarHBondContact O-OG 3.27Å; K27-I40 HydrophobicContact CG-CD1 4.38Å
28R94.7Very high92.9Very high129 Ų12958.3 Ų58.349%0.48729%0.29SS..Hα-helixtrans-67.6-46.6175.7-68.8-171.7-59.2-945.3111.6A24 F25 W26 S30 I31 S78A24-R28 WeakPolarHBondContact O-CG 3.27Å; A24-R28 PolarHBondContact O-N 2.85Å; F25-R28 WeakPolarHBondContact O-CB 3.49Å; F25-R28 PolarHBondContact O-N 3.16Å; W26-R28 VanDerWaalsContact C-N 3.32Å; W26-R28 PolarHBondContact O-N 3.18Å; R28-S30 VanDerWaalsContact C-N 3.27Å; R28-S30 PolarHBondContact O-N 3.19Å; R28-I31 WeakPolarHBondContact O-CB 3.15Å; R28-I31 WeakPolarHBondContact O-CG1 3.4Å; R28-I31 PolarHBondContact O-N 3.24Å; R28-S78 PolarHBondContact NH2-OG 3.44Å
29E94.8Very high92.6Very high20 Ų2059.5 Ų59.59%0.09330%0.295CS..Hα-helixtrans-62.9-33.1178.3-67.4-62.9139.500112.5F25 W26 I31 T32 N33 I36 R74F25-E29 HydrophobicContact CD1-CG 4.11Å; F25-E29 HydrophobicContact CE1-CG 3.56Å; F25-E29 HydrophobicContact CE2-CG 4.02Å; F25-E29 HydrophobicContact CZ-CG 3.49Å; F25-E29 VanDerWaalsContact CZ-CG 3.49Å; F25-E29 PolarHBondContact O-N 3.39Å; W26-E29 PolarHBondContact O-N 3.11Å; E29-I31 PolarHBondContact O-N 2.99Å; E29-T32 PolarHBondContact O-N 3.41Å; E29-N33 WeakPolarHBondContact O-CB 3.47Å; E29-N33 PolarHBondContact O-N 2.88Å; E29-N33 VanDerWaalsContact O-N 3.07Å; E29-I36 HydrophobicContact CB-CD1 3.86Å; E29-I36 HydrophobicContact CB-CG2 4.35Å; E29-R74 IonicContact OE1-CZ 3.33Å; E29-R74 IonicContact OE1-NE 3.06Å; E29-R74 PolarHBondContact OE1-NE 3.06Å; E29-R74 IonicContact OE1-NH2 3.42Å; E29-R74 IonicContact OE2-CZ 3.38Å; E29-R74 IonicContact OE2-NE 3.4Å; E29-R74 PolarHBondContact OE2-NE 3.18Å; E29-R74 IonicContact OE2-NH2 3.65Å; E29-R74 PolarHBondContact OE2-NH2 2.9Å
30S93.3Very high92.2Very high16 Ų1660.8 Ų60.811%0.11230%0.301CS..THydrogen-bonded Turntrans-65.6-17.1177.773.80000115W26 K27 R28 T32W26-S30 WeakPolarHBondContact O-CB 3.38Å; W26-S30 PolarHBondContact O-N 3.45Å; K27-S30 PolarHBondContact O-OG 3.27Å; R28-S30 VanDerWaalsContact C-N 3.27Å; R28-S30 PolarHBondContact O-N 3.19Å; S30-T32 VanDerWaalsContact C-N 3.25Å; S30-T32 PolarHBondContact O-N 2.82Å
31I93Very high91.5Very high140 Ų14065.4 Ų65.472%0.71833%0.334SS*.THydrogen-bonded Turntrans-63.5-37.2179.5-63172.2000110.3R28 E29R28-I31 WeakPolarHBondContact O-CB 3.15Å; R28-I31 WeakPolarHBondContact O-CG1 3.4Å; R28-I31 PolarHBondContact O-N 3.24Å; E29-I31 PolarHBondContact O-N 2.99Å
32T91.3Very high90.6Very high126 Ų12668.5 Ų68.577%0.77337%0.367SS*.THydrogen-bonded Turntrans-112.1-13.8-177.153.70000113.7E29 S30E29-T32 PolarHBondContact O-N 3.41Å; S30-T32 VanDerWaalsContact C-N 3.25Å; S30-T32 PolarHBondContact O-N 2.82Å
33N91.9Very high89.7Confident32 Ų3270.4 Ų70.417%0.17138%0.375CS..  trans-114.1105.1177.8-172.5-28.2000111.4E29 N35 I36 Q37 E67E29-N33 WeakPolarHBondContact O-CB 3.47Å; E29-N33 PolarHBondContact O-N 2.88Å; E29-N33 VanDerWaalsContact O-N 3.07Å; N33-N35 VanDerWaalsContact C-N 3.3Å; N33-N35 PolarHBondContact O-N 2.98Å; N33-N35 WeakPolarHBondContact OD1-CB 3.49Å; N33-N35 PolarHBondContact OD1-N 3.46Å; N33-I36 HydrophobicContact CB-CB 4.1Å; N33-I36 HydrophobicContact CB-CD1 3.93Å; N33-I36 HydrophobicContact CB-CG1 4.07Å; N33-I36 PolarHBondContact O-N 3.14Å; N33-I36 PolarHBondContact OD1-N 2.85Å; N33-Q37 PolarHBondContact O-N 3.42Å; N33-E67 PolarHBondContact ND2-OE2 2.67Å
34R90.5Very high88.9Confident205 Ų20571.2 Ų71.277%0.77438%0.379SS*.Hα-helixtrans-63.2-31.4178.9-71.8-173.2-177.5172.81.2113.4Q37 N38R34-Q37 WeakPolarHBondContact O-CB 3.48Å; R34-Q37 PolarHBondContact O-N 3.36Å; R34-N38 PolarHBondContact O-N 3.29Å; R34-N38 PolarHBondContact O-ND2 3.2Å
35N90.3Very high87.6Confident79 Ų7970.2 Ų70.242%0.42237%0.365SS..Hα-helixtrans-69.7-45.1179.5-169.645.4000110.7N33 Q37 N38 I39 E67N33-N35 VanDerWaalsContact C-N 3.3Å; N33-N35 PolarHBondContact O-N 2.98Å; N33-N35 WeakPolarHBondContact OD1-CB 3.49Å; N33-N35 PolarHBondContact OD1-N 3.46Å; N35-Q37 VanDerWaalsContact C-N 3.32Å; N35-Q37 PolarHBondContact O-N 2.93Å; N35-N38 PolarHBondContact O-N 3.27Å; N35-I39 WeakPolarHBondContact O-CG1 3.4Å; N35-I39 PolarHBondContact O-N 3.26Å; N35-E67 WeakPolarHBondContact CB-OE1 3.38Å; N35-E67 PolarHBondContact ND2-OE1 3Å
36I90.8Very high86.2Confident0 Ų077.4 Ų77.40%040%0.399CS..Hα-helixtrans-56.7-48.5171.1-67.2179.2000110.1W26 E29 N33 N38 I39 I40 L65 I71W26-I36 HydrophobicContact CE3-CD1 4.46Å; W26-I36 HydrophobicContact CE3-CG2 4.27Å; W26-I36 HydrophobicContact CZ3-CD1 4.34Å; E29-I36 HydrophobicContact CB-CD1 3.86Å; E29-I36 HydrophobicContact CB-CG2 4.35Å; N33-I36 HydrophobicContact CB-CB 4.1Å; N33-I36 HydrophobicContact CB-CD1 3.93Å; N33-I36 HydrophobicContact CB-CG1 4.07Å; N33-I36 PolarHBondContact O-N 3.14Å; N33-I36 PolarHBondContact OD1-N 2.85Å; I36-N38 VanDerWaalsContact C-N 3.32Å; I36-N38 PolarHBondContact O-N 3.49Å; I36-I39 PolarHBondContact O-N 3.47Å; I36-I40 HydrophobicContact CG2-CG2 4.14Å; I36-I40 WeakPolarHBondContact O-CG1 3.42Å; I36-I40 WeakPolarHBondContact O-CG2 3.46Å; I36-I40 PolarHBondContact O-N 3.03Å; I36-L65 HydrophobicContact CB-CD2 4.21Å; I36-L65 HydrophobicContact CG1-CD2 4.07Å; I36-L65 HydrophobicContact CG2-CD2 4.11Å; I36-I71 HydrophobicContact CD1-CD1 4.11Å
37Q90.5Very high84.6Confident99 Ų9980.6 Ų80.646%0.46342%0.418SS..Hα-helixtrans-53.3-47.8177.8-170.3-176.913.300112.4N33 R34 N35 I40 S41N33-Q37 PolarHBondContact O-N 3.42Å; R34-Q37 WeakPolarHBondContact O-CB 3.48Å; R34-Q37 PolarHBondContact O-N 3.36Å; N35-Q37 VanDerWaalsContact C-N 3.32Å; N35-Q37 PolarHBondContact O-N 2.93Å; Q37-I40 WeakPolarHBondContact O-CG1 3.29Å; Q37-S41 WeakPolarHBondContact O-CB 3.18Å; Q37-S41 PolarHBondContact O-N 3.21Å; Q37-S41 VanDerWaalsContact O-N 3.14Å; Q37-S41 PolarHBondContact O-OG 3.31Å
38N89.5Confident83.6Confident105 Ų10575.5 Ų75.556%0.56140%0.396SS*.Hα-helixtrans-61.8-46179.5-70.4-19.9000111.5R34 N35 I36 S41R34-N38 PolarHBondContact O-N 3.29Å; R34-N38 PolarHBondContact O-ND2 3.2Å; N35-N38 PolarHBondContact O-N 3.27Å; I36-N38 VanDerWaalsContact C-N 3.32Å; I36-N38 PolarHBondContact O-N 3.49Å; N38-S41 PolarHBondContact O-N 2.86Å; N38-S41 PolarHBondContact O-OG 3.38Å
39I87.4Confident82.4Confident37 Ų3774.8 Ų74.819%0.1940%0.402CS..Hα-helixtrans-64.9-49.5-178.4-67.5166000111N35 I36 S41 G42 F43 T61 L65N35-I39 WeakPolarHBondContact O-CG1 3.4Å; N35-I39 PolarHBondContact O-N 3.26Å; I36-I39 PolarHBondContact O-N 3.47Å; I39-S41 PolarHBondContact O-N 3.41Å; I39-G42 PolarHBondContact O-N 3.3Å; I39-F43 WeakPolarHBondContact O-CB 3.35Å; I39-F43 PolarHBondContact O-N 2.89Å; I39-F43 VanDerWaalsContact O-N 3.14Å; I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; I39-L65 HydrophobicContact CB-CD2 3.6Å; I39-L65 HydrophobicContact CD1-CD2 3.81Å; I39-L65 HydrophobicContact CG1-CD2 4.3Å; I39-L65 HydrophobicContact CG2-CD1 4.39Å; I39-L65 HydrophobicContact CG2-CD2 3.49Å; I39-L65 VanDerWaalsContact CG2-CD2 3.49Å; I39-L65 HydrophobicContact CG2-CG 3.98Å
40I86.3Confident81.2Confident27 Ų2774.5 Ų74.514%0.13840%0.404CS..Hα-helixtrans-68.3-25.1-176.268.9169.2000112.8W26 K27 I36 Q37 G42 L65W26-I40 HydrophobicContact CB-CG2 3.91Å; W26-I40 HydrophobicContact CG-CG2 4.49Å; K27-I40 HydrophobicContact CG-CD1 4.38Å; I36-I40 HydrophobicContact CG2-CG2 4.14Å; I36-I40 WeakPolarHBondContact O-CG1 3.42Å; I36-I40 WeakPolarHBondContact O-CG2 3.46Å; I36-I40 PolarHBondContact O-N 3.03Å; Q37-I40 WeakPolarHBondContact O-CG1 3.29Å; I40-G42 VanDerWaalsContact C-N 3.31Å; I40-L65 HydrophobicContact CG2-CD1 4.17Å; I40-L65 HydrophobicContact CG2-CD2 4.2Å
41S83.1Confident80.7Confident98 Ų9876.7 Ų76.769%0.68542%0.415SS*.Hα-helixtrans-72.6-26.1178.771.50000113.2Q37 N38 I39Q37-S41 WeakPolarHBondContact O-CB 3.18Å; Q37-S41 PolarHBondContact O-N 3.21Å; Q37-S41 VanDerWaalsContact O-N 3.14Å; Q37-S41 PolarHBondContact O-OG 3.31Å; N38-S41 PolarHBondContact O-N 2.86Å; N38-S41 PolarHBondContact O-OG 3.38Å; I39-S41 PolarHBondContact O-N 3.41Å
42G77.2Confident80Confident71 Ų7172.6 Ų72.673%0.73239%0.393SS*.Hα-helixtrans-104.6-5.4179.900000114.3I39 I40I39-G42 PolarHBondContact O-N 3.3Å; I40-G42 VanDerWaalsContact C-N 3.31Å
43F74Confident79.5Confident50 Ų5071 Ų7122%0.21938%0.38CS..  trans-105.3112.8-175.5-164-97.1000111.2I39 F45 A58 T61I39-F43 WeakPolarHBondContact O-CB 3.35Å; I39-F43 PolarHBondContact O-N 2.89Å; I39-F43 VanDerWaalsContact O-N 3.14Å; F43-F45 HydrophobicContact CB-CE2 4.43Å; F43-F45 AromaticContact CD1-CD1 3.54Å; F43-F45 HydrophobicContact CD1-CD1 3.54Å; F43-F45 AromaticContact CD1-CD2 3.76Å; F43-F45 HydrophobicContact CD1-CD2 3.76Å; F43-F45 AromaticContact CD1-CE1 3.5Å; F43-F45 HydrophobicContact CD1-CE1 3.5Å; F43-F45 VanDerWaalsContact CD1-CE1 3.5Å; F43-F45 AromaticContact CD1-CE2 3.73Å; F43-F45 HydrophobicContact CD1-CE2 3.73Å; F43-F45 AromaticContact CD1-CG 3.67Å; F43-F45 HydrophobicContact CD1-CG 3.67Å; F43-F45 AromaticContact CD1-CZ 3.6Å; F43-F45 HydrophobicContact CD1-CZ 3.6Å; F43-F45 HydrophobicContact CE1-CB 4.44Å; F43-F45 AromaticContact CE1-CD1 3.49Å; F43-F45 HydrophobicContact CE1-CD1 3.49Å; F43-F45 VanDerWaalsContact CE1-CD1 3.49Å; F43-F45 HydrophobicContact CE1-CD2 4.44Å; F43-F45 AromaticContact CE1-CE1 3.72Å; F43-F45 HydrophobicContact CE1-CE1 3.72Å; F43-F45 AromaticContact CE1-CG 3.88Å; F43-F45 HydrophobicContact CE1-CG 3.88Å; F43-F45 HydrophobicContact CE1-CZ 4.3Å; F43-F45 HydrophobicContact CG-CZ 4.49Å; F43-F45 PolarHBondContact O-N 2.93Å; F43-A58 HydrophobicContact CE1-CB 3.83Å; F43-A58 HydrophobicContact CZ-CB 3.52Å; F43-T61 HydrophobicContact CB-CG2 4.23Å; F43-T61 HydrophobicContact CD1-CG2 4.28Å; F43-T61 HydrophobicContact CD2-CG2 3.66Å; F43-T61 HydrophobicContact CE2-CG2 4.16Å; F43-T61 WeakPolarHBondContact CE2-OG1 3.29Å; F43-T61 HydrophobicContact CG-CG2 3.76Å
44D72.7Confident79Confident82 Ų8275.5 Ų75.544%0.43940%0.395SS..  trans-84.3105.6169.9-174.5-0.9000109.3E46 T47D44-E46 PolarHBondContact O-N 3.46Å; D44-E46 WeakPolarHBondContact OD1-CB 3.21Å; D44-E46 PolarHBondContact OD1-N 3.36Å; D44-T47 WeakPolarHBondContact OD2-CB 3.49Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.21Å; D44-T47 PolarHBondContact OD2-OG1 3.27Å
45F66.8Low78.7Confident31 Ų3166.1 Ų66.114%0.13636%0.361CS..SBendtrans-70.7-14.8176.6-69.3-85.1000112.8L23 F43 I62 L65L23-F45 HydrophobicContact CD1-CD2 4.09Å; L23-F45 HydrophobicContact CD1-CE2 3.97Å; F43-F45 HydrophobicContact CB-CE2 4.43Å; F43-F45 AromaticContact CD1-CD1 3.54Å; F43-F45 HydrophobicContact CD1-CD1 3.54Å; F43-F45 AromaticContact CD1-CD2 3.76Å; F43-F45 HydrophobicContact CD1-CD2 3.76Å; F43-F45 AromaticContact CD1-CE1 3.5Å; F43-F45 HydrophobicContact CD1-CE1 3.5Å; F43-F45 VanDerWaalsContact CD1-CE1 3.5Å; F43-F45 AromaticContact CD1-CE2 3.73Å; F43-F45 HydrophobicContact CD1-CE2 3.73Å; F43-F45 AromaticContact CD1-CG 3.67Å; F43-F45 HydrophobicContact CD1-CG 3.67Å; F43-F45 AromaticContact CD1-CZ 3.6Å; F43-F45 HydrophobicContact CD1-CZ 3.6Å; F43-F45 HydrophobicContact CE1-CB 4.44Å; F43-F45 AromaticContact CE1-CD1 3.49Å; F43-F45 HydrophobicContact CE1-CD1 3.49Å; F43-F45 VanDerWaalsContact CE1-CD1 3.49Å; F43-F45 HydrophobicContact CE1-CD2 4.44Å; F43-F45 AromaticContact CE1-CE1 3.72Å; F43-F45 HydrophobicContact CE1-CE1 3.72Å; F43-F45 AromaticContact CE1-CG 3.88Å; F43-F45 HydrophobicContact CE1-CG 3.88Å; F43-F45 HydrophobicContact CE1-CZ 4.3Å; F43-F45 HydrophobicContact CG-CZ 4.49Å; F43-F45 PolarHBondContact O-N 2.93Å; F45-I62 HydrophobicContact CE1-CD1 4.19Å; F45-I62 HydrophobicContact CE1-CG1 3.81Å; F45-L65 HydrophobicContact CZ-CD1 4.36Å
46E64.6Low78.4Confident154 Ų15464.6 Ų64.672%0.7235%0.35SS*.SBendtrans-96.8-16.8-167.9-61.2179.9-175.400113.4D44D44-E46 PolarHBondContact O-N 3.46Å; D44-E46 WeakPolarHBondContact OD1-CB 3.21Å; D44-E46 PolarHBondContact OD1-N 3.36Å
47T61.7Low78.1Confident67 Ų6767.6 Ų67.641%0.41137%0.366SS..  trans-109.555-169.249.90000116D44D44-T47 WeakPolarHBondContact OD2-CB 3.49Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.21Å; D44-T47 PolarHBondContact OD2-OG1 3.27Å
48W70.7Confident77.9Confident17 Ų1763 Ų636%0.06435%0.346CS..  trans-88.3-16.2168.770.1-77.4000114G50 D51 R54 C55 K251 F283W48-G50 PolarHBondContact O-N 2.98Å; W48-D51 VanDerWaalsContact O-CB 3.27Å; W48-D51 WeakPolarHBondContact O-CB 3.44Å; W48-D51 PolarHBondContact O-N 2.91Å; W48-R54 HydrophobicContact CB-CB 3.91Å; W48-C55 HydrophobicContact CD2-CB 4.21Å; W48-C55 HydrophobicContact CE3-CB 3.64Å; W48-C55 HydrophobicContact CZ3-CB 3.83Å; W48-K251 VanDerWaalsContact CH2-C 3.41Å; W48-K251 HydrophobicContact CH2-CB 4.27Å; W48-K251 WeakPolarHBondContact CH2-O 3.45Å; W48-K251 VanDerWaalsContact CZ2-C 3.41Å; W48-K251 HydrophobicContact CZ2-CB 3.44Å; W48-K251 VanDerWaalsContact CZ2-CB 3.44Å; W48-K251 WeakPolarHBondContact CZ2-O 3.5Å; W48-F283 AromaticContact CE2-CE1 3.91Å; W48-F283 HydrophobicContact CH2-CD1 4.25Å; W48-F283 AromaticContact CH2-CE1 3.54Å; W48-F283 HydrophobicContact CH2-CE1 3.54Å; W48-F283 HydrophobicContact CH2-CZ 4.42Å; W48-F283 AromaticContact CZ2-CD1 3.43Å; W48-F283 HydrophobicContact CZ2-CD1 3.43Å; W48-F283 VanDerWaalsContact CZ2-CD1 3.43Å; W48-F283 AromaticContact CZ2-CE1 3.15Å; W48-F283 HydrophobicContact CZ2-CE1 3.15Å; W48-F283 HydrophobicContact CZ2-CZ 4.36Å
49N70.1Confident77.9Confident114 Ų11459.2 Ų59.261%0.6132%0.324SS*.THydrogen-bonded Turntrans50.330.5171.6-76.1-21.3000115.8D51 K253N49-D51 PolarHBondContact O-N 3.27Å; N49-K253 WeakPolarHBondContact O-CE 3.5Å; N49-K253 PolarHBondContact O-NZ 3.49Å
50G70.6Confident77.9Confident14 Ų1464.8 Ų64.814%0.14434%0.343CS..THydrogen-bonded Turntrans72.412.1-176.700000115W48 I52 K251W48-G50 PolarHBondContact O-N 2.98Å; G50-I52 PolarHBondContact O-N 3.11Å; G50-K251 WeakPolarHBondContact CA-O 3.42Å; G50-K251 PolarHBondContact N-O 2.89Å
51D81.5Confident78Confident63 Ų6364.5 Ų64.534%0.33734%0.342SS..  trans-82.3107.9171-177.1-17.2000108.9W48 N49 D53 R54 C55W48-D51 VanDerWaalsContact O-CB 3.27Å; W48-D51 WeakPolarHBondContact O-CB 3.44Å; W48-D51 PolarHBondContact O-N 2.91Å; N49-D51 PolarHBondContact O-N 3.27Å; D51-D53 PolarHBondContact O-N 3.01Å; D51-D53 WeakPolarHBondContact OD1-CB 3.32Å; D51-D53 PolarHBondContact OD1-N 2.82Å; D51-R54 HydrophobicContact CB-CB 4.06Å; D51-R54 HydrophobicContact CB-CG 3.91Å; D51-R54 WeakPolarHBondContact O-CB 3.45Å; D51-R54 PolarHBondContact O-N 3.3Å; D51-R54 VanDerWaalsContact O-N 3.09Å; D51-R54 PolarHBondContact OD1-N 2.97Å; D51-R54 WeakPolarHBondContact OD2-CG 3.46Å; D51-R54 IonicContact OD2-NE 3.34Å; D51-R54 PolarHBondContact OD2-NE 3.44Å; D51-C55 PolarHBondContact O-N 3.5Å
52I78.6Confident78.4Confident53 Ų5360 Ų6027%0.27231%0.311SS..Hα-helixtrans-59.6-33.3-176.9-162.1170.4000112.2G50 C55 F56 P167 L168G50-I52 PolarHBondContact O-N 3.11Å; I52-C55 VanDerWaalsContact O-CB 3.29Å; I52-C55 WeakPolarHBondContact O-CB 3.41Å; I52-C55 PolarHBondContact O-N 3.5Å; I52-F56 HydrophobicContact CD1-CE2 4.09Å; I52-F56 HydrophobicContact CG1-CD2 4.01Å; I52-F56 HydrophobicContact CG1-CE2 3.69Å; I52-F56 WeakPolarHBondContact O-CD2 3.32Å; I52-F56 PolarHBondContact O-N 3.44Å; I52-P167 HydrophobicContact CD1-CG 3.86Å; I52-L168 HydrophobicContact CG2-CD1 4.29Å
53D80.3Confident79Confident93 Ų9358.2 Ų58.250%0.49728%0.283SS..Hα-helixtrans-68.2-40.1178.2-70.2-29.7000110.2D51 C55 F56 D57D51-D53 PolarHBondContact O-N 3.01Å; D51-D53 WeakPolarHBondContact OD1-CB 3.32Å; D51-D53 PolarHBondContact OD1-N 2.82Å; D53-C55 VanDerWaalsContact C-N 3.31Å; D53-C55 PolarHBondContact O-N 3.49Å; D53-F56 CarbonylContact O-C 3.6Å; D53-F56 PolarHBondContact O-N 3.21Å; D53-D57 VanDerWaalsContact O-CG 3.23Å; D53-D57 PolarHBondContact O-N 2.94Å; D53-D57 VanDerWaalsContact O-OD1 3.11Å
54R82.1Confident79.8Confident127 Ų12762.5 Ų62.548%0.47930%0.302SS..Hα-helixtrans-64.7-34.9173.1-67.4-176.9-171.9-155.5-5.3112.9W48 D51 D57 A58W48-R54 HydrophobicContact CB-CB 3.91Å; D51-R54 HydrophobicContact CB-CB 4.06Å; D51-R54 HydrophobicContact CB-CG 3.91Å; D51-R54 WeakPolarHBondContact O-CB 3.45Å; D51-R54 PolarHBondContact O-N 3.3Å; D51-R54 VanDerWaalsContact O-N 3.09Å; D51-R54 PolarHBondContact OD1-N 2.97Å; D51-R54 WeakPolarHBondContact OD2-CG 3.46Å; D51-R54 IonicContact OD2-NE 3.34Å; D51-R54 PolarHBondContact OD2-NE 3.44Å; R54-D57 WeakPolarHBondContact O-CB 3.3Å; R54-D57 PolarHBondContact O-N 3.34Å; R54-A58 PolarHBondContact O-N 3.03Å
55C84.1Confident80.7Confident8 Ų858.6 Ų58.65%0.05428%0.281CS..Hα-helixtrans-59.4-48.8172.3-1740000110.4W48 D51 I52 D53 D57 A58 F59 L282W48-C55 HydrophobicContact CD2-CB 4.21Å; W48-C55 HydrophobicContact CE3-CB 3.64Å; W48-C55 HydrophobicContact CZ3-CB 3.83Å; D51-C55 PolarHBondContact O-N 3.5Å; I52-C55 VanDerWaalsContact O-CB 3.29Å; I52-C55 WeakPolarHBondContact O-CB 3.41Å; I52-C55 PolarHBondContact O-N 3.5Å; D53-C55 VanDerWaalsContact C-N 3.31Å; D53-C55 PolarHBondContact O-N 3.49Å; C55-D57 VanDerWaalsContact C-N 3.28Å; C55-D57 PolarHBondContact O-N 3.3Å; C55-A58 WeakPolarHBondContact O-CB 3.39Å; C55-A58 PolarHBondContact O-N 3.48Å; C55-A58 VanDerWaalsContact O-N 3.13Å; C55-F59 VanDerWaalsContact O-CD2 3.28Å; C55-F59 WeakPolarHBondContact O-CD2 3.44Å; C55-F59 PolarHBondContact O-N 3.19Å; C55-F59 VanDerWaalsContact O-N 3.15Å; C55-L282 VanDerWaalsContact SG-CD2 3.57Å
56F84.8Confident82Confident46 Ų4657.4 Ų57.420%0.20228%0.276CS..Hα-helixtrans-63.9-31.5174.6-76.1-66.9000113I52 D53 A58 F59 R60 N166I52-F56 HydrophobicContact CD1-CE2 4.09Å; I52-F56 HydrophobicContact CG1-CD2 4.01Å; I52-F56 HydrophobicContact CG1-CE2 3.69Å; I52-F56 WeakPolarHBondContact O-CD2 3.32Å; I52-F56 PolarHBondContact O-N 3.44Å; D53-F56 CarbonylContact O-C 3.6Å; D53-F56 PolarHBondContact O-N 3.21Å; F56-A58 VanDerWaalsContact C-N 3.33Å; F56-A58 PolarHBondContact O-N 2.94Å; F56-F59 HydrophobicContact CD1-CD2 4.13Å; F56-F59 HydrophobicContact CE1-CD2 4.43Å; F56-F59 WeakPolarHBondContact O-CB 3.42Å; F56-F59 PolarHBondContact O-N 3.5Å; F56-R60 VanDerWaalsContact O-CG 3.3Å; F56-R60 WeakPolarHBondContact O-CG 3.17Å; F56-R60 PolarHBondContact O-N 3.17Å; F56-N166 HydrophobicContact CD2-CB 3.96Å; F56-N166 HydrophobicContact CE1-CB 4.23Å; F56-N166 VanDerWaalsContact CE2-CA 3.46Å; F56-N166 HydrophobicContact CE2-CB 3.52Å; F56-N166 HydrophobicContact CZ-CB 3.72Å
57D84.5Confident83.2Confident63 Ų6353.4 Ų53.434%0.33726%0.257SS..Hα-helixtrans-65-36.4173.2-69.31000112.8D53 R54 C55 R60 T61D53-D57 VanDerWaalsContact O-CG 3.23Å; D53-D57 PolarHBondContact O-N 2.94Å; D53-D57 VanDerWaalsContact O-OD1 3.11Å; R54-D57 WeakPolarHBondContact O-CB 3.3Å; R54-D57 PolarHBondContact O-N 3.34Å; C55-D57 VanDerWaalsContact C-N 3.28Å; C55-D57 PolarHBondContact O-N 3.3Å; D57-R60 PolarHBondContact O-N 3.3Å; D57-R60 IonicContact OD1-CZ 3.68Å; D57-R60 IonicContact OD1-NE 2.73Å; D57-R60 PolarHBondContact OD1-NE 3.17Å; D57-R60 IonicContact OD1-NH2 3.74Å; D57-R60 PolarHBondContact OD1-NH2 3.19Å; D57-R60 IonicContact OD2-NH2 3.77Å; D57-R60 PolarHBondContact OD2-NH2 3.4Å; D57-T61 PolarHBondContact O-N 3Å; D57-T61 PolarHBondContact O-OG1 3.36Å; D57-T61 VanDerWaalsContact O-OG1 3.08Å
58A86.2Confident84.8Confident4 Ų452.5 Ų52.53%0.03325%0.252CS..Hα-helixtrans-62.6-47.1171.600000111.6F43 R54 C55 F56 R60 T61 I62 L282F43-A58 HydrophobicContact CE1-CB 3.83Å; F43-A58 HydrophobicContact CZ-CB 3.52Å; R54-A58 PolarHBondContact O-N 3.03Å; C55-A58 WeakPolarHBondContact O-CB 3.39Å; C55-A58 PolarHBondContact O-N 3.48Å; C55-A58 VanDerWaalsContact O-N 3.13Å; F56-A58 VanDerWaalsContact C-N 3.33Å; F56-A58 PolarHBondContact O-N 2.94Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.09Å; A58-T61 WeakPolarHBondContact O-CB 3.39Å; A58-T61 PolarHBondContact O-N 3.29Å; A58-T61 VanDerWaalsContact O-N 3.1Å; A58-I62 WeakPolarHBondContact O-CG1 3.1Å; A58-I62 PolarHBondContact O-N 3.16Å; A58-L282 HydrophobicContact CB-CD1 3.59Å
59F88.8Confident86Confident24 Ų2453 Ų5311%0.10526%0.257CS..Hα-helixtrans-58.7-45172.9-73-64.6000112.2C55 F56 T61 I62 H63 D279 L282C55-F59 VanDerWaalsContact O-CD2 3.28Å; C55-F59 WeakPolarHBondContact O-CD2 3.44Å; C55-F59 PolarHBondContact O-N 3.19Å; C55-F59 VanDerWaalsContact O-N 3.15Å; F56-F59 HydrophobicContact CD1-CD2 4.13Å; F56-F59 HydrophobicContact CE1-CD2 4.43Å; F56-F59 WeakPolarHBondContact O-CB 3.42Å; F56-F59 PolarHBondContact O-N 3.5Å; F59-T61 PolarHBondContact O-N 2.9Å; F59-I62 PolarHBondContact O-N 2.93Å; F59-H63 WeakPolarHBondContact O-CB 3.39Å; F59-H63 PolarHBondContact O-CE1 3Å; F59-H63 PolarHBondContact O-N 2.96Å; F59-H63 PolarHBondContact O-ND1 3.23Å; F59-D279 WeakPolarHBondContact CE1-OD1 3.45Å; F59-D279 HydrophobicContact CZ-CB 4.42Å; F59-D279 VanDerWaalsContact CZ-CG 3.46Å; F59-D279 VanDerWaalsContact CZ-OD1 3.23Å; F59-D279 WeakPolarHBondContact CZ-OD1 3.5Å; F59-D279 WeakPolarHBondContact CZ-OD2 3.48Å; F59-L282 HydrophobicContact CD2-CD2 4.14Å; F59-L282 HydrophobicContact CE1-CD2 3.97Å; F59-L282 HydrophobicContact CE2-CD2 3.51Å; F59-L282 HydrophobicContact CZ-CD2 3.42Å; F59-L282 VanDerWaalsContact CZ-CD2 3.42Å
60R88.2Confident87.3Confident154 Ų15452.5 Ų52.558%0.58125%0.251SS*.Hα-helixtrans-56.4-37.5175.9-70.4-168.9-64.4160.1-2.6111.7F56 D57 A58 K64F56-R60 VanDerWaalsContact O-CG 3.3Å; F56-R60 WeakPolarHBondContact O-CG 3.17Å; F56-R60 PolarHBondContact O-N 3.17Å; D57-R60 PolarHBondContact O-N 3.3Å; D57-R60 IonicContact OD1-CZ 3.68Å; D57-R60 IonicContact OD1-NE 2.73Å; D57-R60 PolarHBondContact OD1-NE 3.17Å; D57-R60 IonicContact OD1-NH2 3.74Å; D57-R60 PolarHBondContact OD1-NH2 3.19Å; D57-R60 IonicContact OD2-NH2 3.77Å; D57-R60 PolarHBondContact OD2-NH2 3.4Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.09Å; R60-K64 WeakPolarHBondContact O-CG 3.47Å; R60-K64 PolarHBondContact O-N 3.48Å
61T88.5Confident88.6Confident22 Ų2252.1 Ų52.114%0.13525%0.246CC..Hα-helixtrans-70.7-47.2175.5-58.80000112I39 F43 D57 A58 F59 H63 K64 L65I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; F43-T61 HydrophobicContact CB-CG2 4.23Å; F43-T61 HydrophobicContact CD1-CG2 4.28Å; F43-T61 HydrophobicContact CD2-CG2 3.66Å; F43-T61 HydrophobicContact CE2-CG2 4.16Å; F43-T61 WeakPolarHBondContact CE2-OG1 3.29Å; F43-T61 HydrophobicContact CG-CG2 3.76Å; D57-T61 PolarHBondContact O-N 3Å; D57-T61 PolarHBondContact O-OG1 3.36Å; D57-T61 VanDerWaalsContact O-OG1 3.08Å; A58-T61 WeakPolarHBondContact O-CB 3.39Å; A58-T61 PolarHBondContact O-N 3.29Å; A58-T61 VanDerWaalsContact O-N 3.1Å; F59-T61 PolarHBondContact O-N 2.9Å; T61-H63 VanDerWaalsContact C-N 3.26Å; T61-H63 PolarHBondContact O-N 3.48Å; T61-K64 WeakPolarHBondContact O-CB 3.27Å; T61-K64 PolarHBondContact O-N 3.29Å; T61-L65 PolarHBondContact O-N 3.3Å
62I90Very high89.4Confident4 Ų449.2 Ų49.22%0.02123%0.23CC..Hα-helixtrans-56.3-42.9176.2-68.5166.2000110.9S18 I21 W26 F45 A58 F59 K64 L65 I66S18-I62 WeakPolarHBondContact O-CG2 3.46Å; I21-I62 HydrophobicContact CD1-CG2 4.49Å; W26-I62 HydrophobicContact CZ2-CG2 4.15Å; F45-I62 HydrophobicContact CE1-CD1 4.19Å; F45-I62 HydrophobicContact CE1-CG1 3.81Å; A58-I62 WeakPolarHBondContact O-CG1 3.1Å; A58-I62 PolarHBondContact O-N 3.16Å; F59-I62 PolarHBondContact O-N 2.93Å; I62-K64 PolarHBondContact O-N 2.91Å; I62-L65 WeakPolarHBondContact O-CB 3.17Å; I62-L65 PolarHBondContact O-N 3.19Å; I62-I66 HydrophobicContact CG2-CD1 4.49Å; I62-I66 PolarHBondContact O-N 2.64Å
63H90.5Very high90.3Very high32 Ų3248.2 Ų48.215%0.14822%0.224CC..Hα-helixtrans-63.4-29.3178.2-63.1139.3000113.4F59 T61 L65 R98F59-H63 WeakPolarHBondContact O-CB 3.39Å; F59-H63 PolarHBondContact O-CE1 3Å; F59-H63 PolarHBondContact O-N 2.96Å; F59-H63 PolarHBondContact O-ND1 3.23Å; T61-H63 VanDerWaalsContact C-N 3.26Å; T61-H63 PolarHBondContact O-N 3.48Å; H63-L65 VanDerWaalsContact C-N 3.35Å; H63-R98 PolarHBondContact CD2-NE 2.87Å; H63-R98 VanDerWaalsContact CE1-CZ 3.41Å; H63-R98 PolarHBondContact CE1-NE 2.86Å; H63-R98 PolarHBondContact CE1-NH2 2.87Å; H63-R98 VanDerWaalsContact CG-CZ 3.41Å; H63-R98 PolarHBondContact ND1-NE 2.96Å; H63-R98 PolarHBondContact ND1-NH2 2.94Å; H63-R98 PolarHBondContact NE2-NE 2.82Å; H63-R98 VanDerWaalsContact NE2-NE 3.18Å; H63-R98 PolarHBondContact NE2-NH2 3.42Å
64K89.6Confident91.2Very high141 Ų14148.6 Ų48.661%0.61322%0.219SC*.Hα-helixtrans-73.3-26.9173.6-69.3171.6-178176.20112.7R60 T61 I62 I66R60-K64 WeakPolarHBondContact O-CG 3.47Å; R60-K64 PolarHBondContact O-N 3.48Å; T61-K64 WeakPolarHBondContact O-CB 3.27Å; T61-K64 PolarHBondContact O-N 3.29Å; I62-K64 PolarHBondContact O-N 2.91Å; K64-I66 VanDerWaalsContact C-N 3.31Å
65L92.8Very high91.9Very high0 Ų042.6 Ų42.60%020%0.196CC..Hα-helixtrans-71.9-26.7176.4-65.3172.8000112.5W26 I36 I39 I40 F45 T61 I62 H63 E67W26-L65 HydrophobicContact CD2-CB 4.46Å; W26-L65 HydrophobicContact CD2-CD1 3.76Å; W26-L65 HydrophobicContact CE3-CB 4.01Å; W26-L65 HydrophobicContact CE3-CD1 4.06Å; W26-L65 HydrophobicContact CG-CD1 4.21Å; W26-L65 HydrophobicContact CH2-CB 3.5Å; W26-L65 HydrophobicContact CH2-CD1 4.36Å; W26-L65 HydrophobicContact CZ2-CB 3.96Å; W26-L65 HydrophobicContact CZ2-CD1 4.05Å; W26-L65 HydrophobicContact CZ3-CB 3.53Å; W26-L65 HydrophobicContact CZ3-CD1 4.36Å; W26-L65 HydrophobicContact CZ3-CG 4.48Å; I36-L65 HydrophobicContact CB-CD2 4.21Å; I36-L65 HydrophobicContact CG1-CD2 4.07Å; I36-L65 HydrophobicContact CG2-CD2 4.11Å; I39-L65 HydrophobicContact CB-CD2 3.6Å; I39-L65 HydrophobicContact CD1-CD2 3.81Å; I39-L65 HydrophobicContact CG1-CD2 4.3Å; I39-L65 HydrophobicContact CG2-CD1 4.39Å; I39-L65 HydrophobicContact CG2-CD2 3.49Å; I39-L65 VanDerWaalsContact CG2-CD2 3.49Å; I39-L65 HydrophobicContact CG2-CG 3.98Å; I40-L65 HydrophobicContact CG2-CD1 4.17Å; I40-L65 HydrophobicContact CG2-CD2 4.2Å; F45-L65 HydrophobicContact CZ-CD1 4.36Å; T61-L65 PolarHBondContact O-N 3.3Å; I62-L65 WeakPolarHBondContact O-CB 3.17Å; I62-L65 PolarHBondContact O-N 3.19Å; H63-L65 VanDerWaalsContact C-N 3.35Å; L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.01Å
66I93.8Very high92.6Very high6 Ų642.2 Ų42.23%0.03119%0.193CC..  trans-82.674.6177.3-55.4169.3000108.9I21 W26 I62 K64 L72I21-I66 HydrophobicContact CD1-CD1 3.93Å; I21-I66 HydrophobicContact CD1-CG1 4.37Å; W26-I66 HydrophobicContact CH2-CG1 3.84Å; W26-I66 HydrophobicContact CZ2-CG1 4.45Å; I62-I66 HydrophobicContact CG2-CD1 4.49Å; I62-I66 PolarHBondContact O-N 2.64Å; K64-I66 VanDerWaalsContact C-N 3.31Å; I66-L72 HydrophobicContact CD1-CD1 4.33Å; I66-L72 HydrophobicContact CG2-CB 3.77Å; I66-L72 HydrophobicContact CG2-CD1 4.02Å; I66-L72 HydrophobicContact CG2-CD2 4.44Å; I66-L72 HydrophobicContact CG2-CG 4.31Å
67E89.7Confident93.3Very high70 Ų7041.8 Ų41.833%0.32719%0.193SC..  trans-78-30.1-173.9-67166.8-166.100113.4N33 N35 L65 I71 V100N33-E67 PolarHBondContact ND2-OE2 2.67Å; N35-E67 WeakPolarHBondContact CB-OE1 3.38Å; N35-E67 PolarHBondContact ND2-OE1 3Å; L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.01Å; E67-I71 HydrophobicContact CB-CD1 4.16Å; E67-V100 WeakPolarHBondContact O-CG1 3.46Å
68T95.3Very high94Very high48 Ų4839.5 Ų39.529%0.29418%0.182SC..SBendtrans-139.1156.2-174.185.10000112.4E70 I71 L72T68-E70 WeakPolarHBondContact CB-OE2 3.41Å; T68-E70 PolarHBondContact O-N 3.44Å; T68-E70 PolarHBondContact OG1-N 3.06Å; T68-E70 PolarHBondContact OG1-OE2 2.91Å; T68-I71 HydrophobicContact CG2-CD1 4.47Å; T68-I71 PolarHBondContact O-N 3.07Å; T68-I71 PolarHBondContact OG1-N 3.47Å; T68-L72 PolarHBondContact O-N 3.12Å
69P97.2Very high94.6Very high28 Ų2839.4 Ų39.418%0.18218%0.181CC..Hα-helixtrans-51-36.4170.6-29.237.5000113.7L72 E73 V100 A109P69-L72 WeakPolarHBondContact O-CB 3.42Å; P69-L72 PolarHBondContact O-N 3.33Å; P69-E73 WeakPolarHBondContact O-CB 3.45Å; P69-E73 PolarHBondContact O-N 3.05Å; P69-V100 WeakPolarHBondContact CG-O 3.24Å; P69-A109 HydrophobicContact CB-CB 3.85Å; P69-A109 VanDerWaalsContact O-CB 3.26Å; P69-A109 WeakPolarHBondContact O-CB 3.35Å
70E97Very high95.1Very high103 Ų10338.3 Ų38.348%0.48118%0.176SC..Hα-helixtrans-70.7-37.8-176.8-58.870.9-155.500112.3T68 L72 R74T68-E70 WeakPolarHBondContact CB-OE2 3.41Å; T68-E70 PolarHBondContact O-N 3.44Å; T68-E70 PolarHBondContact OG1-N 3.06Å; T68-E70 PolarHBondContact OG1-OE2 2.91Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-R74 WeakPolarHBondContact O-CG 3.5Å; E70-R74 PolarHBondContact O-N 2.77Å; E70-R74 VanDerWaalsContact O-N 3.17Å; E70-R74 PolarHBondContact O-NH1 3.07Å; E70-R74 VanDerWaalsContact O-NH1 3.11Å
71I96.9Very high95.6Very high6 Ų632.7 Ų32.73%0.03116%0.156CC..Hα-helixtrans-64.4-42.6172.8-69.5162.2000109.5F25 W26 I36 E67 T68 E73 R74 A75F25-I71 HydrophobicContact CE1-CG2 4.47Å; F25-I71 HydrophobicContact CZ-CG2 4.49Å; W26-I71 HydrophobicContact CH2-CG2 4.49Å; W26-I71 HydrophobicContact CZ3-CG2 4.07Å; I36-I71 HydrophobicContact CD1-CD1 4.11Å; E67-I71 HydrophobicContact CB-CD1 4.16Å; T68-I71 HydrophobicContact CG2-CD1 4.47Å; T68-I71 PolarHBondContact O-N 3.07Å; T68-I71 PolarHBondContact OG1-N 3.47Å; I71-E73 PolarHBondContact O-N 3.27Å; I71-R74 PolarHBondContact O-N 3.14Å; I71-A75 WeakPolarHBondContact O-CB 3.06Å; I71-A75 PolarHBondContact O-N 3Å
72L98.1Very high96Very high1 Ų133 Ų331%0.00516%0.156CC..Hα-helixtrans-62.7-41.8178.1-177.958000112.6L17 I66 T68 P69 E70 A75 T76 Y106 A109 V110L17-L72 HydrophobicContact CD2-CD1 3.82Å; I66-L72 HydrophobicContact CD1-CD1 4.33Å; I66-L72 HydrophobicContact CG2-CB 3.77Å; I66-L72 HydrophobicContact CG2-CD1 4.02Å; I66-L72 HydrophobicContact CG2-CD2 4.44Å; I66-L72 HydrophobicContact CG2-CG 4.31Å; T68-L72 PolarHBondContact O-N 3.12Å; P69-L72 WeakPolarHBondContact O-CB 3.42Å; P69-L72 PolarHBondContact O-N 3.33Å; E70-L72 VanDerWaalsContact C-N 3.32Å; L72-A75 PolarHBondContact O-N 3.06Å; L72-T76 WeakPolarHBondContact O-CB 3.3Å; L72-T76 PolarHBondContact O-N 2.89Å; L72-T76 PolarHBondContact O-OG1 3.27Å; L72-Y106 HydrophobicContact CD1-CE2 4.09Å; L72-Y106 HydrophobicContact CD2-CD1 3.9Å; L72-Y106 HydrophobicContact CD2-CD2 3.31Å; L72-Y106 HydrophobicContact CD2-CE1 3.9Å; L72-Y106 HydrophobicContact CD2-CE2 3.32Å; L72-Y106 HydrophobicContact CD2-CG 3.58Å; L72-Y106 HydrophobicContact CG-CE2 4.35Å; L72-A109 HydrophobicContact CB-CB 4.27Å; L72-A109 HydrophobicContact CD2-CB 4.06Å; L72-A109 HydrophobicContact CG-CB 4.27Å; L72-V110 HydrophobicContact CD1-CG2 4.09Å; L72-V110 HydrophobicContact CD2-CG2 3.78Å; L72-V110 HydrophobicContact CG-CG2 3.88Å
73E98.5Very high96.5Very high33 Ų3332.8 Ų32.815%0.15416%0.155CC..Hα-helixtrans-58.4-50.1174.8-178.9-179.215600110.8P69 I71 A75 T76 I77 K112P69-E73 WeakPolarHBondContact O-CB 3.45Å; P69-E73 PolarHBondContact O-N 3.05Å; I71-E73 PolarHBondContact O-N 3.27Å; E73-A75 PolarHBondContact O-N 2.85Å; E73-T76 WeakPolarHBondContact O-CB 3.35Å; E73-T76 PolarHBondContact O-N 3.03Å; E73-I77 HydrophobicContact CG-CD1 4.36Å; E73-I77 WeakPolarHBondContact O-CG1 3.47Å; E73-I77 PolarHBondContact O-N 2.96Å; E73-K112 HydrophobicContact CG-CG 4.36Å; E73-K112 WeakPolarHBondContact OE1-CE 3.06Å; E73-K112 IonicContact OE1-NZ 3.72Å; E73-K112 PolarHBondContact OE1-NZ 3.33Å; E73-K112 VanDerWaalsContact OE2-CD 3.29Å; E73-K112 WeakPolarHBondContact OE2-CD 3.29Å; E73-K112 WeakPolarHBondContact OE2-CE 3.45Å; E73-K112 IonicContact OE2-NZ 3.32Å; E73-K112 PolarHBondContact OE2-NZ 2.91Å
74R98.2Very high96.8Very high101 Ų10133.2 Ų33.238%0.38116%0.157SC..Hα-helixtrans-64.6-39.3177.9-68.8-168-60.4-79.35.7112.8F25 E29 E70 I71 T76 I77 S78F25-R74 VanDerWaalsContact CE2-C 3.49Å; F25-R74 HydrophobicContact CE2-CB 3.89Å; F25-R74 HydrophobicContact CZ-CB 4.13Å; E29-R74 IonicContact OE1-CZ 3.33Å; E29-R74 IonicContact OE1-NE 3.06Å; E29-R74 PolarHBondContact OE1-NE 3.06Å; E29-R74 IonicContact OE1-NH2 3.42Å; E29-R74 IonicContact OE2-CZ 3.38Å; E29-R74 IonicContact OE2-NE 3.4Å; E29-R74 PolarHBondContact OE2-NE 3.18Å; E29-R74 IonicContact OE2-NH2 3.65Å; E29-R74 PolarHBondContact OE2-NH2 2.9Å; E70-R74 WeakPolarHBondContact O-CG 3.5Å; E70-R74 PolarHBondContact O-N 2.77Å; E70-R74 VanDerWaalsContact O-N 3.17Å; E70-R74 PolarHBondContact O-NH1 3.07Å; E70-R74 VanDerWaalsContact O-NH1 3.11Å; I71-R74 PolarHBondContact O-N 3.14Å; R74-T76 VanDerWaalsContact C-N 3.34Å; R74-I77 PolarHBondContact O-N 2.97Å; R74-S78 WeakPolarHBondContact O-CB 3.24Å; R74-S78 PolarHBondContact O-N 2.74Å
75A98.3Very high97.2Very high0 Ų032.8 Ų32.80%016%0.157CC..Hα-helixtrans-62.6-43.9176.500000111I21 F25 I71 L72 E73 S78 V79I21-A75 HydrophobicContact CD1-CB 3.76Å; I21-A75 HydrophobicContact CG1-CB 4.08Å; I21-A75 HydrophobicContact CG2-CB 4.29Å; F25-A75 HydrophobicContact CD1-CB 4.4Å; F25-A75 HydrophobicContact CE1-CB 3.68Å; F25-A75 VanDerWaalsContact CE2-CA 3.49Å; F25-A75 HydrophobicContact CE2-CB 4.15Å; F25-A75 VanDerWaalsContact CZ-CA 3.41Å; F25-A75 HydrophobicContact CZ-CB 3.55Å; I71-A75 WeakPolarHBondContact O-CB 3.06Å; I71-A75 PolarHBondContact O-N 3Å; L72-A75 PolarHBondContact O-N 3.06Å; E73-A75 PolarHBondContact O-N 2.85Å; A75-S78 PolarHBondContact O-N 3.11Å; A75-V79 WeakPolarHBondContact O-CG2 3.45Å; A75-V79 PolarHBondContact O-N 3.12Å
76T98.8Very high97.4Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-59.7-47.8176.7-570000111.2L72 E73 R74 S78 V79 I80 L93 V110 I114L72-T76 WeakPolarHBondContact O-CB 3.3Å; L72-T76 PolarHBondContact O-N 2.89Å; L72-T76 PolarHBondContact O-OG1 3.27Å; E73-T76 WeakPolarHBondContact O-CB 3.35Å; E73-T76 PolarHBondContact O-N 3.03Å; R74-T76 VanDerWaalsContact C-N 3.34Å; T76-S78 PolarHBondContact O-N 3.33Å; T76-V79 PolarHBondContact O-N 2.9Å; T76-I80 HydrophobicContact CG2-CD1 3.93Å; T76-I80 WeakPolarHBondContact O-CD1 3.28Å; T76-I80 VanDerWaalsContact O-CG1 3.32Å; T76-I80 WeakPolarHBondContact O-CG1 3.42Å; T76-I80 PolarHBondContact O-N 3.42Å; T76-I80 VanDerWaalsContact O-N 3.12Å; T76-L93 HydrophobicContact CG2-CD2 4.02Å; T76-V110 HydrophobicContact CG2-CG1 4.15Å; T76-I114 HydrophobicContact CG2-CG1 3.88Å
77I98.8Very high97.6Very high38 Ų3835.2 Ų35.220%0.19517%0.17CC..Hα-helixtrans-57.5-49.1174.6-66.1163.5000110.3E73 R74 V79 I80 E81 G113 A117E73-I77 HydrophobicContact CG-CD1 4.36Å; E73-I77 WeakPolarHBondContact O-CG1 3.47Å; E73-I77 PolarHBondContact O-N 2.96Å; R74-I77 PolarHBondContact O-N 2.97Å; I77-V79 VanDerWaalsContact C-N 3.33Å; I77-V79 PolarHBondContact O-N 2.82Å; I77-I80 PolarHBondContact O-N 2.87Å; I77-E81 HydrophobicContact CG2-CG 4.19Å; I77-E81 WeakPolarHBondContact O-CG 3.38Å; I77-E81 PolarHBondContact O-N 3.26Å; I77-G113 WeakPolarHBondContact CG1-O 3.46Å; I77-A117 HydrophobicContact CG1-CB 4.47Å; I77-A117 HydrophobicContact CG2-CB 4.46Å
78S98.7Very high98Very high15 Ų1531.9 Ų31.911%0.10516%0.155CC..Hα-helixtrans-58.7-42.8-178.7-1660000112.4R28 R74 A75 T76 E81 E82R28-S78 PolarHBondContact NH2-OG 3.44Å; R74-S78 WeakPolarHBondContact O-CB 3.24Å; R74-S78 PolarHBondContact O-N 2.74Å; A75-S78 PolarHBondContact O-N 3.11Å; T76-S78 PolarHBondContact O-N 3.33Å; S78-E81 PolarHBondContact O-N 3.46Å; S78-E82 WeakPolarHBondContact O-CB 3.24Å; S78-E82 WeakPolarHBondContact O-CG 3.27Å; S78-E82 PolarHBondContact O-N 2.97Å
79V98.8Very high98.2Very high2 Ų229.8 Ų29.81%0.01214%0.142CC..Hα-helixtrans-63.8-45.5178.7167.90000111.4L17 I21 A75 T76 I77 E82 F83 L93L17-V79 HydrophobicContact CD1-CB 4.24Å; L17-V79 HydrophobicContact CD1-CG2 4.04Å; I21-V79 HydrophobicContact CG1-CG2 4.15Å; A75-V79 WeakPolarHBondContact O-CG2 3.45Å; A75-V79 PolarHBondContact O-N 3.12Å; T76-V79 PolarHBondContact O-N 2.9Å; I77-V79 VanDerWaalsContact C-N 3.33Å; I77-V79 PolarHBondContact O-N 2.82Å; V79-E82 PolarHBondContact O-N 3.25Å; V79-F83 HydrophobicContact CG1-CD2 3.82Å; V79-F83 HydrophobicContact CG1-CE2 3.71Å; V79-F83 VanDerWaalsContact O-CD2 3.29Å; V79-F83 WeakPolarHBondContact O-CD2 3.48Å; V79-F83 PolarHBondContact O-N 3.1Å; V79-F83 VanDerWaalsContact O-N 3.09Å; V79-L93 HydrophobicContact CG1-CD1 4.09Å
80I98.9Very high98.3Very high0 Ų028.5 Ų28.50%013%0.133CC..Hα-helixtrans-61.2-46.9178.5-66.7163.2000110.8T76 I77 E82 F83 H84 L91 I114 A117 V120 I125 V127T76-I80 HydrophobicContact CG2-CD1 3.93Å; T76-I80 WeakPolarHBondContact O-CD1 3.28Å; T76-I80 VanDerWaalsContact O-CG1 3.32Å; T76-I80 WeakPolarHBondContact O-CG1 3.42Å; T76-I80 PolarHBondContact O-N 3.42Å; T76-I80 VanDerWaalsContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 2.87Å; I80-E82 VanDerWaalsContact C-N 3.33Å; I80-E82 PolarHBondContact O-N 3.35Å; I80-F83 PolarHBondContact O-N 3.15Å; I80-H84 WeakPolarHBondContact O-CB 3.45Å; I80-H84 PolarHBondContact O-N 3.33Å; I80-L91 HydrophobicContact CG1-CD2 4.07Å; I80-I114 HydrophobicContact CD1-CB 4.23Å; I80-I114 HydrophobicContact CD1-CG1 3.84Å; I80-A117 HydrophobicContact CB-CB 4.26Å; I80-A117 HydrophobicContact CD1-CB 4.03Å; I80-A117 HydrophobicContact CG2-CB 3.91Å; I80-V120 HydrophobicContact CG2-CG2 3.99Å; I80-I125 HydrophobicContact CG2-CG2 3.98Å; I80-V127 HydrophobicContact CD1-CG1 4.3Å; I80-V127 HydrophobicContact CD1-CG2 4.2Å; I80-V127 HydrophobicContact CG1-CG1 4.47Å; I80-V127 HydrophobicContact CG1-CG2 4.12Å; I80-V127 HydrophobicContact CG2-CG2 3.83Å
81E98.7Very high98.4Very high36 Ų3623.6 Ų23.617%0.16811%0.11CC..Hα-helixtrans-65.5-35.8-179.9-66-55.412900112.1I77 S78 H84 Q85 P118 S119I77-E81 HydrophobicContact CG2-CG 4.19Å; I77-E81 WeakPolarHBondContact O-CG 3.38Å; I77-E81 PolarHBondContact O-N 3.26Å; S78-E81 PolarHBondContact O-N 3.46Å; E81-H84 PolarHBondContact O-N 3.33Å; E81-Q85 WeakPolarHBondContact O-CB 3.38Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.9Å; E81-P118 WeakPolarHBondContact OE1-CD 3.45Å; E81-S119 WeakPolarHBondContact OE1-CB 3.42Å; E81-S119 PolarHBondContact OE1-N 3.15Å; E81-S119 PolarHBondContact OE1-OG 3.13Å
82E98.3Very high98.5Very high29 Ų2923.3 Ų23.314%0.13611%0.109CC..Hα-helixtrans-65.2-43.2174.6-77.7-177.8-14900112.4S22 S78 V79 I80 Q85 K280S22-E82 VanDerWaalsContact CB-OE1 3.22Å; S22-E82 WeakPolarHBondContact CB-OE1 3.48Å; S22-E82 PolarHBondContact OG-OE1 3.36Å; S78-E82 WeakPolarHBondContact O-CB 3.24Å; S78-E82 WeakPolarHBondContact O-CG 3.27Å; S78-E82 PolarHBondContact O-N 2.97Å; V79-E82 PolarHBondContact O-N 3.25Å; I80-E82 VanDerWaalsContact C-N 3.33Å; I80-E82 PolarHBondContact O-N 3.35Å; E82-Q85 PolarHBondContact O-N 3.49Å; E82-K280 IonicContact OE2-NZ 2.78Å; E82-K280 PolarHBondContact OE2-NZ 2.95Å
83F98.7Very high98.5Very high0 Ų023.2 Ų23.20%011%0.108CC..Hα-helixtrans-63.9-41.8172.9-81.7-63.7000111.5E12 A15 V79 I80 Q85 E86 V88 L91 T277 K280E12-F83 HydrophobicContact CG-CE1 4.02Å; E12-F83 HydrophobicContact CG-CZ 4.17Å; A15-F83 HydrophobicContact CB-CE2 3.83Å; A15-F83 HydrophobicContact CB-CZ 3.56Å; V79-F83 HydrophobicContact CG1-CD2 3.82Å; V79-F83 HydrophobicContact CG1-CE2 3.71Å; V79-F83 VanDerWaalsContact O-CD2 3.29Å; V79-F83 WeakPolarHBondContact O-CD2 3.48Å; V79-F83 PolarHBondContact O-N 3.1Å; V79-F83 VanDerWaalsContact O-N 3.09Å; I80-F83 PolarHBondContact O-N 3.15Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-Q85 PolarHBondContact O-N 2.87Å; F83-E86 CarbonylContact O-C 3.51Å; F83-E86 WeakPolarHBondContact O-CG 3.43Å; F83-E86 PolarHBondContact O-N 2.69Å; F83-V88 HydrophobicContact CB-CB 3.99Å; F83-V88 HydrophobicContact CB-CG1 4.42Å; F83-V88 HydrophobicContact CB-CG2 4.01Å; F83-V88 HydrophobicContact CD1-CG2 3.9Å; F83-V88 HydrophobicContact CG-CG2 4.41Å; F83-V88 VanDerWaalsContact O-CB 3.26Å; F83-V88 WeakPolarHBondContact O-CB 3.49Å; F83-V88 VanDerWaalsContact O-CG2 3.32Å; F83-V88 WeakPolarHBondContact O-CG2 3.45Å; F83-V88 PolarHBondContact O-N 3.31Å; F83-V88 VanDerWaalsContact O-N 3.08Å; F83-L91 HydrophobicContact CB-CD2 4.37Å; F83-L91 HydrophobicContact CD2-CD1 3.86Å; F83-L91 HydrophobicContact CD2-CD2 3.67Å; F83-L91 HydrophobicContact CD2-CG 4.41Å; F83-L91 HydrophobicContact CE2-CD1 3.91Å; F83-L91 HydrophobicContact CE2-CD2 4.33Å; F83-L91 HydrophobicContact CG-CD1 4.31Å; F83-L91 HydrophobicContact CG-CD2 4.3Å; F83-L91 HydrophobicContact CZ-CD1 4.39Å; F83-T277 HydrophobicContact CE1-CG2 4.1Å; F83-K280 HydrophobicContact CD1-CD 4.44Å; F83-K280 HydrophobicContact CE1-CD 4.02Å; F83-K280 HydrophobicContact CZ-CB 4.2Å; F83-K280 HydrophobicContact CZ-CD 4.04Å
84H98.5Very high98.5Very high40 Ų4021.7 Ų21.719%0.18510%0.101CC..Hα-helixtrans-62.2-39.6176.417449.2000112.4I80 E81 E86 N87 S119 K124 I125I80-H84 WeakPolarHBondContact O-CB 3.45Å; I80-H84 PolarHBondContact O-N 3.33Å; E81-H84 PolarHBondContact O-N 3.33Å; H84-E86 PolarHBondContact O-N 2.8Å; H84-E86 VanDerWaalsContact O-N 3.17Å; H84-N87 WeakPolarHBondContact O-CA 3.39Å; H84-N87 PolarHBondContact O-N 2.99Å; H84-S119 WeakPolarHBondContact CD2-CB 3.47Å; H84-S119 VanDerWaalsContact CG-CB 3.49Å; H84-K124 VanDerWaalsContact CE1-CB 3.45Å; H84-K124 WeakPolarHBondContact CE1-CB 3.39Å; H84-I125 HydrophobicContact CB-CD1 4.36Å; H84-I125 HydrophobicContact CB-CG2 4.42Å
85Q97.7Very high98.5Very high132 Ų13217 Ų1762%0.6178%0.084SC*.Hα-helixtrans-59.1-26.7177.8-79.4167.221.200113H6 E81 E82 F83H6-Q85 PolarHBondContact CE1-O 3.32Å; H6-Q85 PolarHBondContact NE2-O 3.14Å; E81-Q85 WeakPolarHBondContact O-CB 3.38Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.9Å; E82-Q85 PolarHBondContact O-N 3.49Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-Q85 PolarHBondContact O-N 2.87Å
86E96.6Very high98.5Very high9 Ų918 Ų184%0.0429%0.09CC..THydrogen-bonded Turntrans-99.428172.267164.1118.100112.8H6 K10 F83 H84 V88 T286 L287 S288H6-E86 CarbonylContact O-C 3.59Å; K10-E86 WeakPolarHBondContact CE-O 3.43Å; K10-E86 PolarHBondContact NZ-O 3.32Å; F83-E86 CarbonylContact O-C 3.51Å; F83-E86 WeakPolarHBondContact O-CG 3.43Å; F83-E86 PolarHBondContact O-N 2.69Å; H84-E86 PolarHBondContact O-N 2.8Å; H84-E86 VanDerWaalsContact O-N 3.17Å; E86-V88 VanDerWaalsContact C-N 3.3Å; E86-V88 HydrophobicContact CG-CG2 4.18Å; E86-V88 PolarHBondContact O-N 3.26Å; E86-T286 WeakPolarHBondContact OE1-CB 3.33Å; E86-L287 PolarHBondContact OE1-N 3.13Å; E86-L287 WeakPolarHBondContact OE2-CA 3.45Å; E86-L287 PolarHBondContact OE2-N 3.02Å; E86-S288 WeakPolarHBondContact OE2-CB 3.32Å; E86-S288 PolarHBondContact OE2-N 3.34Å; E86-S288 PolarHBondContact OE2-OG 3.14Å
87N98Very high98.5Very high49 Ų4918 Ų1826%0.2629%0.09SC..THydrogen-bonded Turntrans56.934.2176-154.930000115.4H6 N7 P9 K10 H84 I89H6-N87 WeakPolarHBondContact O-CB 3.47Å; N7-N87 PolarHBondContact O-ND2 3.48Å; P9-N87 WeakPolarHBondContact CA-O 3.5Å; K10-N87 PolarHBondContact N-O 3.36Å; H84-N87 WeakPolarHBondContact O-CA 3.39Å; H84-N87 PolarHBondContact O-N 2.99Å; N87-I89 PolarHBondContact O-N 3.49Å
88V98.8Very high98.3Very high0 Ų018.7 Ų18.70%09%0.09CC..EExtended strand (participates in β ladder)trans-69.3123.2160.1-1800000108.5K10 E12 F83 E86 L90 L91 I125 L287K10-V88 HydrophobicContact CB-CG2 4.4Å; K10-V88 WeakPolarHBondContact O-CA 3.33Å; E12-V88 HydrophobicContact CB-CG1 4.04Å; F83-V88 HydrophobicContact CB-CB 3.99Å; F83-V88 HydrophobicContact CB-CG1 4.42Å; F83-V88 HydrophobicContact CB-CG2 4.01Å; F83-V88 HydrophobicContact CD1-CG2 3.9Å; F83-V88 HydrophobicContact CG-CG2 4.41Å; F83-V88 VanDerWaalsContact O-CB 3.26Å; F83-V88 WeakPolarHBondContact O-CB 3.49Å; F83-V88 VanDerWaalsContact O-CG2 3.32Å; F83-V88 WeakPolarHBondContact O-CG2 3.45Å; F83-V88 PolarHBondContact O-N 3.31Å; F83-V88 VanDerWaalsContact O-N 3.08Å; E86-V88 VanDerWaalsContact C-N 3.3Å; E86-V88 HydrophobicContact CG-CG2 4.18Å; E86-V88 PolarHBondContact O-N 3.26Å; V88-L90 WeakPolarHBondContact CG1-O 3.4Å; V88-L91 HydrophobicContact CG1-CB 4.25Å; V88-I125 HydrophobicContact CB-CD1 4.21Å; V88-I125 HydrophobicContact CG1-CD1 3.99Å; V88-I125 WeakPolarHBondContact O-CD1 3.36Å; V88-I125 WeakPolarHBondContact O-CG1 3.42Å; V88-L287 HydrophobicContact CG2-CB 4.5Å; V88-L287 HydrophobicContact CG2-CD2 3.91Å
89I98.7Very high98.1Very high4 Ų421.3 Ų21.32%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-104.1-15-17957.5164.3000112.5P9 K10 I11 N87 Y126 L326 K329 I330P9-I89 HydrophobicContact CB-CD1 3.73Å; P9-I89 HydrophobicContact CB-CG1 4.18Å; P9-I89 HydrophobicContact CB-CG2 4.16Å; K10-I89 VanDerWaalsContact O-CG1 3.3Å; K10-I89 WeakPolarHBondContact O-CG1 3.17Å; K10-I89 PolarHBondContact O-N 2.65Å; I11-I89 HydrophobicContact CD1-CD1 4.09Å; I11-I89 HydrophobicContact CD1-CG1 3.78Å; N87-I89 PolarHBondContact O-N 3.49Å; I89-Y126 PolarHBondContact O-N 2.7Å; I89-L326 HydrophobicContact CB-CD2 4.24Å; I89-L326 HydrophobicContact CD1-CB 4.24Å; I89-L326 HydrophobicContact CD1-CD2 3.63Å; I89-L326 HydrophobicContact CG1-CD2 3.86Å; I89-K329 HydrophobicContact CD1-CB 4.14Å; I89-K329 HydrophobicContact CD1-CD 4.1Å; I89-K329 HydrophobicContact CG2-CD 4.45Å; I89-I330 HydrophobicContact CD1-CG1 4.4Å
90L98.8Very high97.8Very high0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-141.9132.4165.5-178.1146.9000110I11 E12 L13 V88 E92 Y126 A316 C318 V322 L326I11-L90 HydrophobicContact CD1-CB 3.81Å; I11-L90 HydrophobicContact CG2-CB 4.3Å; I11-L90 HydrophobicContact CG2-CD2 3.83Å; E12-L90 PolarHBondContact N-O 3.32Å; L13-L90 HydrophobicContact CD2-CD2 3.87Å; V88-L90 WeakPolarHBondContact CG1-O 3.4Å; L90-E92 HydrophobicContact CD2-CG 3.77Å; L90-Y126 CarbonylContact C-O 3.55Å; L90-Y126 VanDerWaalsContact CA-O 3.25Å; L90-Y126 WeakPolarHBondContact CA-O 3.4Å; L90-A316 HydrophobicContact CD1-CB 4.11Å; L90-A316 HydrophobicContact CD2-CB 4.1Å; L90-C318 HydrophobicContact CD1-CB 3.98Å; L90-V322 HydrophobicContact CD1-CG1 4.19Å; L90-L326 HydrophobicContact CB-CD1 3.91Å; L90-L326 HydrophobicContact CB-CD2 4.07Å; L90-L326 HydrophobicContact CD1-CD1 3.48Å; L90-L326 VanDerWaalsContact CD1-CD1 3.48Å; L90-L326 HydrophobicContact CG-CD1 4.31Å
91L98.9Very high97.6Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-124.7117.8176.8169.563.4000109.7E12 A15 I80 F83 V88 L93 I125 Y126 V127 I128E12-L91 HydrophobicContact CB-CD1 3.79Å; E12-L91 HydrophobicContact CG-CD1 3.51Å; E12-L91 CarbonylContact O-C 3.56Å; E12-L91 WeakPolarHBondContact O-CA 3.5Å; A15-L91 HydrophobicContact CB-CD1 3.91Å; I80-L91 HydrophobicContact CG1-CD2 4.07Å; F83-L91 HydrophobicContact CB-CD2 4.37Å; F83-L91 HydrophobicContact CD2-CD1 3.86Å; F83-L91 HydrophobicContact CD2-CD2 3.67Å; F83-L91 HydrophobicContact CD2-CG 4.41Å; F83-L91 HydrophobicContact CE2-CD1 3.91Å; F83-L91 HydrophobicContact CE2-CD2 4.33Å; F83-L91 HydrophobicContact CG-CD1 4.31Å; F83-L91 HydrophobicContact CG-CD2 4.3Å; F83-L91 HydrophobicContact CZ-CD1 4.39Å; V88-L91 HydrophobicContact CG1-CB 4.25Å; L91-L93 HydrophobicContact CD2-CB 4.42Å; L91-L93 HydrophobicContact CG-CB 4.22Å; L91-I125 HydrophobicContact CB-CD1 3.91Å; L91-Y126 PolarHBondContact N-O 3.49Å; L91-V127 HydrophobicContact CB-CG2 4.42Å; L91-V127 CarbonylContact O-C 3.52Å; L91-V127 VanDerWaalsContact O-CA 3.31Å; L91-V127 WeakPolarHBondContact O-CA 3.36Å; L91-I128 PolarHBondContact O-N 3.35Å
92E98.8Very high97.5Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-90.498162.1-53.1-165.7174.200109.2E12 L13 L90 I128 I130 R214 A316 F317E12-E92 PolarHBondContact O-N 2.9Å; L13-E92 HydrophobicContact CD2-CG 3.67Å; L90-E92 HydrophobicContact CD2-CG 3.77Å; E92-I128 CarbonylContact C-O 3.57Å; E92-I128 WeakPolarHBondContact CA-O 3.34Å; E92-I128 HydrophobicContact CG-CB 4.07Å; E92-I130 HydrophobicContact CB-CD1 4Å; E92-I130 VanDerWaalsContact OE2-CD1 3.29Å; E92-I130 WeakPolarHBondContact OE2-CD1 3.43Å; E92-R214 IonicContact OE1-NH1 3.81Å; E92-R214 PolarHBondContact OE1-NH1 3.29Å; E92-R214 IonicContact OE2-CZ 2.78Å; E92-R214 IonicContact OE2-NH1 3.54Å; E92-R214 PolarHBondContact OE2-NH1 3.48Å; E92-R214 IonicContact OE2-NH2 2.64Å; E92-R214 PolarHBondContact OE2-NH2 3.13Å; E92-A316 WeakPolarHBondContact OE1-CA 3.29Å; E92-F317 PolarHBondContact OE1-N 3.03Å
93L98.9Very high97.5Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-84.5122.3179.3-172.566.2000108.5L17 T76 V79 L91 V127 I128 L129 I130L17-L93 HydrophobicContact CB-CD1 3.93Å; L17-L93 HydrophobicContact CB-CD2 4.42Å; L17-L93 HydrophobicContact CB-CG 4.18Å; L17-L93 HydrophobicContact CD1-CD1 4.33Å; L17-L93 HydrophobicContact CD1-CD2 4.18Å; T76-L93 HydrophobicContact CG2-CD2 4.02Å; V79-L93 HydrophobicContact CG1-CD1 4.09Å; L91-L93 HydrophobicContact CD2-CB 4.42Å; L91-L93 HydrophobicContact CG-CB 4.22Å; L93-V127 HydrophobicContact CB-CG1 4.35Å; L93-I128 PolarHBondContact N-O 3.3Å; L93-L129 WeakPolarHBondContact O-CD1 3.4Å; L93-I130 PolarHBondContact O-N 3.11Å
94R98.9Very high97.5Very high0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-106.8144.8175.665.9-172.866.2-172.912.6111.6L13 H14 A15 H16 L17 I130 D162 H192 E243L13-R94 PolarHBondContact O-NH2 2.89Å; H14-R94 VanDerWaalsContact CA-NH2 3.3Å; H14-R94 VanDerWaalsContact CB-NH2 3.34Å; H14-R94 VanDerWaalsContact CG-CZ 3.46Å; H14-R94 PolarHBondContact ND1-NH1 2.96Å; A15-R94 WeakPolarHBondContact O-CG 3.31Å; A15-R94 PolarHBondContact O-N 3.28Å; H16-R94 WeakPolarHBondContact CA-O 3.26Å; H16-R94 HydrophobicContact CB-CG 4.34Å; H16-R94 WeakPolarHBondContact CE1-CD 3.45Å; H16-R94 WeakPolarHBondContact ND1-CD 3.31Å; H16-R94 WeakPolarHBondContact ND1-CG 3.3Å; L17-R94 PolarHBondContact N-O 3.29Å; R94-I130 VanDerWaalsContact CA-O 3.28Å; R94-I130 WeakPolarHBondContact CA-O 3.49Å; R94-I130 HydrophobicContact CB-CB 4.11Å; R94-I130 HydrophobicContact CB-CG2 4.4Å; R94-D162 IonicContact CZ-OD1 3.33Å; R94-D162 IonicContact NH1-OD1 3.8Å; R94-D162 PolarHBondContact NH1-OD1 2.84Å; R94-H192 PolarHBondContact NH1-CE1 3.31Å; R94-H192 VanDerWaalsContact NH1-CE1 3.3Å; R94-E243 IonicContact CZ-OE2 3.11Å; R94-E243 IonicContact NH1-OE2 2.78Å; R94-E243 PolarHBondContact NH1-OE2 2.85Å; R94-E243 VanDerWaalsContact NH2-CD 3.28Å; R94-E243 IonicContact NH2-OE1 3.22Å; R94-E243 PolarHBondContact NH2-OE1 3.34Å; R94-E243 IonicContact NH2-OE2 2.65Å; R94-E243 PolarHBondContact NH2-OE2 3.39Å
95T98.7Very high97.4Very high2 Ų232.4 Ų32.41%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-152.6140.1179.3-169.30000113.2Y106 V110 L129 I130 L131 S132T95-Y106 HydrophobicContact CG2-CE1 3.99Å; T95-Y106 PolarHBondContact OG1-OH 3.48Å; T95-V110 HydrophobicContact CG2-CG1 4.48Å; T95-V110 HydrophobicContact CG2-CG2 4.42Å; T95-L129 HydrophobicContact CG2-CD1 4.07Å; T95-I130 PolarHBondContact N-O 3.44Å; T95-I130 VanDerWaalsContact N-O 3.12Å; T95-L131 HydrophobicContact CG2-CD2 4.44Å; T95-S132 PolarHBondContact O-N 3.1Å
96T98Very high97.5Very high21 Ų2126.2 Ų26.213%0.12914%0.143CC..EExtended strand (participates in β ladder)trans-84.3122.2172.4-59.10000109.6R98 S132 D134T96-R98 PolarHBondContact O-N 3.42Å; T96-S132 WeakPolarHBondContact OG1-CB 3.45Å; T96-D134 HydrophobicContact CG2-CB 3.92Å
97L97.7Very high97.6Very high0 Ų025.8 Ų25.80%014%0.141CC..  trans-63.9136.1179.3-61.4-175.2000111.7H103 Y106 L107 L131 R137 L148L97-H103 HydrophobicContact CB-CB 4.21Å; L97-H103 HydrophobicContact CD1-CB 4.26Å; L97-Y106 HydrophobicContact CD2-CD1 3.72Å; L97-Y106 HydrophobicContact CD2-CE1 4.22Å; L97-L107 HydrophobicContact CD2-CB 3.91Å; L97-L107 HydrophobicContact CD2-CD1 4.34Å; L97-L131 HydrophobicContact CD1-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD2 4.18Å; L97-R137 PolarHBondContact O-NH1 3.45Å; L97-L148 HydrophobicContact CD1-CB 4.2Å; L97-L148 HydrophobicContact CD1-CD1 3.44Å; L97-L148 VanDerWaalsContact CD1-CD1 3.44Å; L97-L148 HydrophobicContact CD1-CG 4.45Å
98R95.4Very high97.6Very high53 Ų5327 Ų2720%0.215%0.148CC..  trans-127.5148.6176.4-65.4-173.6174.6-78.1-13.7111.1H63 T96 V100 Y106H63-R98 PolarHBondContact CD2-NE 2.87Å; H63-R98 VanDerWaalsContact CE1-CZ 3.41Å; H63-R98 PolarHBondContact CE1-NE 2.86Å; H63-R98 PolarHBondContact CE1-NH2 2.87Å; H63-R98 VanDerWaalsContact CG-CZ 3.41Å; H63-R98 PolarHBondContact ND1-NE 2.96Å; H63-R98 PolarHBondContact ND1-NH2 2.94Å; H63-R98 PolarHBondContact NE2-NE 2.82Å; H63-R98 VanDerWaalsContact NE2-NE 3.18Å; H63-R98 PolarHBondContact NE2-NH2 3.42Å; T96-R98 PolarHBondContact O-N 3.42Å; R98-V100 VanDerWaalsContact C-N 3.26Å; R98-V100 HydrophobicContact CB-CG2 4.11Å; R98-V100 PolarHBondContact O-N 2.99Å; R98-Y106 HydrophobicContact CB-CD2 3.89Å; R98-Y106 HydrophobicContact CB-CE2 4.05Å; R98-Y106 HydrophobicContact CG-CE2 4.47Å; R98-Y106 WeakPolarHBondContact O-CB 3.31Å
99P94.6Very high97.6Very high71 Ų7127.2 Ų27.246%0.46115%0.15SC..  trans-77.374.4179.532.3-35.5000111.3P101P99-P101 CarbonylContact C-O 3.57Å; P99-P101 CarbonylContact O-C 3.35Å; P99-P101 WeakPolarHBondContact O-CA 3.42Å
100V92.1Very high97.6Very high24 Ų2427 Ų2715%0.14515%0.149CC..SBendtrans-118.687.7178.6-173.50000110E67 P69 R98 T102 S105 Y106E67-V100 WeakPolarHBondContact O-CG1 3.46Å; P69-V100 WeakPolarHBondContact CG-O 3.24Å; R98-V100 VanDerWaalsContact C-N 3.26Å; R98-V100 HydrophobicContact CB-CG2 4.11Å; R98-V100 PolarHBondContact O-N 2.99Å; V100-T102 VanDerWaalsContact C-N 3.26Å; V100-S105 PolarHBondContact O-OG 3.35Å; V100-Y106 HydrophobicContact CB-CD2 4.46Å; V100-Y106 HydrophobicContact CG2-CD2 4.45Å
101P95Very high97.6Very high100 Ų10027.5 Ų27.565%0.64915%0.152SC*.SBendcis-69.7-12.7-2430.6-38.2000114.3P99 S105P99-P101 CarbonylContact C-O 3.57Å; P99-P101 CarbonylContact O-C 3.35Å; P99-P101 WeakPolarHBondContact O-CA 3.42Å; P101-S105 WeakPolarHBondContact CD-OG 3.33Å
102T97.2Very high97.6Very high70 Ų7032.5 Ų32.543%0.42917%0.173SC..  trans-134.1159.7176.466.80000110.2V100 R104 S105 Y106V100-T102 VanDerWaalsContact C-N 3.26Å; T102-R104 PolarHBondContact O-N 2.64Å; T102-S105 PolarHBondContact N-OG 2.81Å; T102-S105 PolarHBondContact O-N 2.65Å; T102-S105 PolarHBondContact O-OG 2.87Å; T102-S105 WeakPolarHBondContact OG1-CB 3.14Å; T102-S105 PolarHBondContact OG1-N 2.72Å; T102-S105 PolarHBondContact OG1-OG 3.45Å; T102-Y106 PolarHBondContact O-N 3Å
103H97.7Very high97.6Very high24 Ų2432.5 Ų32.511%0.11117%0.173CC..Hα-helixtrans-59-35.3174.7-6075.3000112.4L97 Y106 L107 E141 I144 L148L97-H103 HydrophobicContact CB-CB 4.21Å; L97-H103 HydrophobicContact CD1-CB 4.26Å; H103-Y106 WeakPolarHBondContact O-CB 3.25Å; H103-L107 WeakPolarHBondContact O-CB 3.4Å; H103-L107 PolarHBondContact O-N 2.76Å; H103-E141 IonicContact CD2-OE2 2.82Å; H103-E141 IonicContact CE1-OE1 3.53Å; H103-E141 IonicContact CE1-OE2 3.5Å; H103-E141 IonicContact NE2-OE1 2.76Å; H103-E141 IonicContact NE2-OE2 3.65Å; H103-E141 PolarHBondContact NE2-OE2 2.92Å; H103-I144 HydrophobicContact CB-CG2 3.93Å; H103-L148 HydrophobicContact CB-CD1 3.76Å
104R98Very high97.6Very high96 Ų9633.4 Ų33.436%0.36218%0.178SC..Hα-helixtrans-69.2-42.8177.4-175.6176.8-64.3-81.42.3112.3T102 Y106 L107 N108 L148 E151 Y152T102-R104 PolarHBondContact O-N 2.64Å; R104-Y106 VanDerWaalsContact C-N 3.31Å; R104-L107 PolarHBondContact O-N 2.84Å; R104-N108 WeakPolarHBondContact O-CB 3.37Å; R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 2.62Å; R104-N108 PolarHBondContact O-ND2 3.2Å; R104-L148 HydrophobicContact CB-CD2 4.3Å; R104-L148 HydrophobicContact CG-CD2 4.45Å; R104-L148 VanDerWaalsContact CZ-CD2 3.46Å; R104-E151 IonicContact CZ-OE1 2.74Å; R104-E151 IonicContact CZ-OE2 3.95Å; R104-E151 VanDerWaalsContact CZ-OE2 3.27Å; R104-E151 IonicContact NH1-OE1 2.67Å; R104-E151 PolarHBondContact NH1-OE1 3.23Å; R104-E151 IonicContact NH1-OE2 2.63Å; R104-E151 PolarHBondContact NH1-OE2 2.92Å; R104-E151 IonicContact NH2-OE1 2.92Å; R104-E151 IonicContact NH2-OE2 2.83Å; R104-E151 PolarHBondContact NH2-OE2 2.87Å; R104-Y152 PolarHBondContact NH1-OH 3.07Å
105S97.9Very high97.5Very high26 Ų2638.4 Ų38.418%0.18220%0.201CC..Hα-helixtrans-65.7-37176.3590000111.8V100 P101 T102 N108 A109V100-S105 PolarHBondContact O-OG 3.35Å; P101-S105 WeakPolarHBondContact CD-OG 3.33Å; T102-S105 PolarHBondContact N-OG 2.81Å; T102-S105 PolarHBondContact O-N 2.65Å; T102-S105 PolarHBondContact O-OG 2.87Å; T102-S105 WeakPolarHBondContact OG1-CB 3.14Å; T102-S105 PolarHBondContact OG1-N 2.72Å; T102-S105 PolarHBondContact OG1-OG 3.45Å; S105-N108 PolarHBondContact O-N 3.38Å; S105-A109 PolarHBondContact O-N 2.78Å
106Y98.5Very high97.5Very high1 Ų140.7 Ų40.70%0.00422%0.217CC..Hα-helixtrans-58.7-52.5171-178.4-74.3000111.1L72 T95 L97 R98 V100 T102 H103 R104 N108 A109 V110L72-Y106 HydrophobicContact CD1-CE2 4.09Å; L72-Y106 HydrophobicContact CD2-CD1 3.9Å; L72-Y106 HydrophobicContact CD2-CD2 3.31Å; L72-Y106 HydrophobicContact CD2-CE1 3.9Å; L72-Y106 HydrophobicContact CD2-CE2 3.32Å; L72-Y106 HydrophobicContact CD2-CG 3.58Å; L72-Y106 HydrophobicContact CG-CE2 4.35Å; T95-Y106 HydrophobicContact CG2-CE1 3.99Å; T95-Y106 PolarHBondContact OG1-OH 3.48Å; L97-Y106 HydrophobicContact CD2-CD1 3.72Å; L97-Y106 HydrophobicContact CD2-CE1 4.22Å; R98-Y106 HydrophobicContact CB-CD2 3.89Å; R98-Y106 HydrophobicContact CB-CE2 4.05Å; R98-Y106 HydrophobicContact CG-CE2 4.47Å; R98-Y106 WeakPolarHBondContact O-CB 3.31Å; V100-Y106 HydrophobicContact CB-CD2 4.46Å; V100-Y106 HydrophobicContact CG2-CD2 4.45Å; T102-Y106 PolarHBondContact O-N 3Å; H103-Y106 WeakPolarHBondContact O-CB 3.25Å; R104-Y106 VanDerWaalsContact C-N 3.31Å; Y106-N108 VanDerWaalsContact C-N 3.35Å; Y106-N108 PolarHBondContact O-N 2.75Å; Y106-A109 PolarHBondContact O-N 3.46Å; Y106-V110 HydrophobicContact CD1-CG2 4.16Å; Y106-V110 HydrophobicContact CE1-CG2 3.76Å; Y106-V110 PolarHBondContact O-N 2.93Å; Y106-V110 VanDerWaalsContact O-N 3.11Å
107L98.5Very high97.6Very high0 Ų039.7 Ų39.70%021%0.211CC..Hα-helixtrans-59-44.8179.117952.8000112L97 H103 R104 A109 V110 I111 L129 L131 L148 Y152 V158L97-L107 HydrophobicContact CD2-CB 3.91Å; L97-L107 HydrophobicContact CD2-CD1 4.34Å; H103-L107 WeakPolarHBondContact O-CB 3.4Å; H103-L107 PolarHBondContact O-N 2.76Å; R104-L107 PolarHBondContact O-N 2.84Å; L107-A109 VanDerWaalsContact C-N 3.31Å; L107-A109 PolarHBondContact O-N 3.16Å; L107-V110 PolarHBondContact O-N 3.5Å; L107-I111 HydrophobicContact CD1-CD1 3.74Å; L107-I111 HydrophobicContact CD1-CG1 4.08Å; L107-I111 HydrophobicContact CG-CD1 3.79Å; L107-I111 WeakPolarHBondContact O-CG1 3.32Å; L107-I111 PolarHBondContact O-N 3.18Å; L107-L129 HydrophobicContact CD1-CD2 3.61Å; L107-L131 HydrophobicContact CD1-CD1 4.33Å; L107-L131 HydrophobicContact CD1-CD2 3.69Å; L107-L131 HydrophobicContact CD2-CD1 4.04Å; L107-L148 HydrophobicContact CD2-CB 4Å; L107-Y152 HydrophobicContact CD2-CD1 4.17Å; L107-Y152 HydrophobicContact CD2-CD2 3.57Å; L107-Y152 HydrophobicContact CD2-CE1 4.2Å; L107-Y152 HydrophobicContact CD2-CE2 3.62Å; L107-Y152 HydrophobicContact CD2-CG 3.84Å; L107-Y152 HydrophobicContact CG-CD1 4.44Å; L107-Y152 HydrophobicContact CG-CE1 4.27Å; L107-Y152 HydrophobicContact CG-CE2 4.44Å; L107-V158 HydrophobicContact CD1-CG2 4.42Å
108N98.4Very high97.6Very high74 Ų7442.7 Ų42.740%0.39623%0.231SC..Hα-helixtrans-60.4-39.2177.3-76.5-18.8000112.7R104 S105 Y106 I111 K112 Y152R104-N108 WeakPolarHBondContact O-CB 3.37Å; R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 2.62Å; R104-N108 PolarHBondContact O-ND2 3.2Å; S105-N108 PolarHBondContact O-N 3.38Å; Y106-N108 VanDerWaalsContact C-N 3.35Å; Y106-N108 PolarHBondContact O-N 2.75Å; N108-I111 PolarHBondContact O-N 3.02Å; N108-K112 VanDerWaalsContact O-CB 3.24Å; N108-K112 WeakPolarHBondContact O-CB 3.34Å; N108-K112 PolarHBondContact O-N 3.32Å; N108-Y152 PolarHBondContact OD1-OH 3.02Å
109A98.6Very high97.8Very high6 Ų640.2 Ų40.25%0.0522%0.221CC..Hα-helixtrans-65.9-41.7176.300000112.8P69 L72 S105 Y106 L107 K112 G113P69-A109 HydrophobicContact CB-CB 3.85Å; P69-A109 VanDerWaalsContact O-CB 3.26Å; P69-A109 WeakPolarHBondContact O-CB 3.35Å; L72-A109 HydrophobicContact CB-CB 4.27Å; L72-A109 HydrophobicContact CD2-CB 4.06Å; L72-A109 HydrophobicContact CG-CB 4.27Å; S105-A109 PolarHBondContact O-N 2.78Å; Y106-A109 PolarHBondContact O-N 3.46Å; L107-A109 VanDerWaalsContact C-N 3.31Å; L107-A109 PolarHBondContact O-N 3.16Å; A109-K112 PolarHBondContact O-N 3.28Å; A109-G113 PolarHBondContact O-N 3.5Å
110V98.8Very high97.9Very high0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-62.7-48.3174.9177.20000110.3L17 L72 T76 T95 Y106 L107 K112 G113 I114 L129L17-V110 HydrophobicContact CD2-CG1 4.25Å; L17-V110 HydrophobicContact CD2-CG2 3.8Å; L72-V110 HydrophobicContact CD1-CG2 4.09Å; L72-V110 HydrophobicContact CD2-CG2 3.78Å; L72-V110 HydrophobicContact CG-CG2 3.88Å; T76-V110 HydrophobicContact CG2-CG1 4.15Å; T95-V110 HydrophobicContact CG2-CG1 4.48Å; T95-V110 HydrophobicContact CG2-CG2 4.42Å; Y106-V110 HydrophobicContact CD1-CG2 4.16Å; Y106-V110 HydrophobicContact CE1-CG2 3.76Å; Y106-V110 PolarHBondContact O-N 2.93Å; Y106-V110 VanDerWaalsContact O-N 3.11Å; L107-V110 PolarHBondContact O-N 3.5Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-K112 PolarHBondContact O-N 2.83Å; V110-G113 PolarHBondContact O-N 3.22Å; V110-G113 VanDerWaalsContact O-N 3.16Å; V110-I114 HydrophobicContact CG1-CD1 3.99Å; V110-I114 WeakPolarHBondContact O-CG1 3.49Å; V110-I114 PolarHBondContact O-N 3Å; V110-L129 HydrophobicContact CG1-CD1 3.84Å; V110-L129 HydrophobicContact CG1-CD2 4.17Å
111I98.7Very high98.2Very high10 Ų1042.5 Ų42.55%0.05123%0.229CC..Hα-helixtrans-60-45.4178.5-70.8167.5000111.1L107 N108 G113 I114 Q115 L129 Y152 L157L107-I111 HydrophobicContact CD1-CD1 3.74Å; L107-I111 HydrophobicContact CD1-CG1 4.08Å; L107-I111 HydrophobicContact CG-CD1 3.79Å; L107-I111 WeakPolarHBondContact O-CG1 3.32Å; L107-I111 PolarHBondContact O-N 3.18Å; N108-I111 PolarHBondContact O-N 3.02Å; I111-G113 VanDerWaalsContact C-N 3.31Å; I111-G113 PolarHBondContact O-N 2.95Å; I111-I114 PolarHBondContact O-N 3.21Å; I111-Q115 HydrophobicContact CG2-CG 4.37Å; I111-Q115 WeakPolarHBondContact O-CB 3.4Å; I111-Q115 WeakPolarHBondContact O-CG 3.43Å; I111-Q115 PolarHBondContact O-N 2.83Å; I111-L129 HydrophobicContact CD1-CD2 4.43Å; I111-L129 HydrophobicContact CG1-CD2 3.75Å; I111-Y152 HydrophobicContact CD1-CD1 3.23Å; I111-Y152 HydrophobicContact CD1-CE1 3.38Å; I111-Y152 HydrophobicContact CD1-CG 4.27Å; I111-L157 HydrophobicContact CD1-CB 4.16Å; I111-L157 HydrophobicContact CD1-CD1 4.31Å; I111-L157 HydrophobicContact CG2-CD1 4.31Å; I111-L157 HydrophobicContact CG2-CD2 4.18Å
112K98.6Very high98.4Very high105 Ų10542.2 Ų42.246%0.45722%0.222SC..Hα-helixtrans-62.3-40.4176.9-174.6174170.2-131.50111.4E73 N108 A109 V110 Q115 S116E73-K112 HydrophobicContact CG-CG 4.36Å; E73-K112 WeakPolarHBondContact OE1-CE 3.06Å; E73-K112 IonicContact OE1-NZ 3.72Å; E73-K112 PolarHBondContact OE1-NZ 3.33Å; E73-K112 VanDerWaalsContact OE2-CD 3.29Å; E73-K112 WeakPolarHBondContact OE2-CD 3.29Å; E73-K112 WeakPolarHBondContact OE2-CE 3.45Å; E73-K112 IonicContact OE2-NZ 3.32Å; E73-K112 PolarHBondContact OE2-NZ 2.91Å; N108-K112 VanDerWaalsContact O-CB 3.24Å; N108-K112 WeakPolarHBondContact O-CB 3.34Å; N108-K112 PolarHBondContact O-N 3.32Å; A109-K112 PolarHBondContact O-N 3.28Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-K112 PolarHBondContact O-N 2.83Å; K112-Q115 PolarHBondContact O-N 2.79Å; K112-S116 WeakPolarHBondContact O-CB 2.97Å; K112-S116 PolarHBondContact O-N 2.88Å; K112-S116 PolarHBondContact O-OG 2.93Å
113G98.8Very high98.4Very high0 Ų044.3 Ų44.30%023%0.231CC..Hα-helixtrans-60.7-44.7174.200000112.1I77 A109 V110 I111 S116 A117I77-G113 WeakPolarHBondContact CG1-O 3.46Å; A109-G113 PolarHBondContact O-N 3.5Å; V110-G113 PolarHBondContact O-N 3.22Å; V110-G113 VanDerWaalsContact O-N 3.16Å; I111-G113 VanDerWaalsContact C-N 3.31Å; I111-G113 PolarHBondContact O-N 2.95Å; G113-S116 PolarHBondContact O-N 2.71Å; G113-A117 PolarHBondContact O-N 2.69Å; G113-A117 VanDerWaalsContact O-N 3.1Å
114I98.8Very high98.4Very high18 Ų1847.7 Ų47.79%0.09225%0.245CC..Hα-helixtrans-59.9-51.8174.7-67.8165.9000111.1T76 I80 V110 I111 S116 A117 V127 L129T76-I114 HydrophobicContact CG2-CG1 3.88Å; I80-I114 HydrophobicContact CD1-CB 4.23Å; I80-I114 HydrophobicContact CD1-CG1 3.84Å; V110-I114 HydrophobicContact CG1-CD1 3.99Å; V110-I114 WeakPolarHBondContact O-CG1 3.49Å; V110-I114 PolarHBondContact O-N 3Å; I111-I114 PolarHBondContact O-N 3.21Å; I114-S116 PolarHBondContact O-N 3.2Å; I114-A117 PolarHBondContact O-N 3.22Å; I114-V127 HydrophobicContact CD1-CG1 4.05Å; I114-V127 HydrophobicContact CG1-CG1 3.9Å; I114-V127 HydrophobicContact CG2-CB 3.8Å; I114-V127 HydrophobicContact CG2-CG1 3.83Å; I114-L129 HydrophobicContact CD1-CB 4.04Å; I114-L129 HydrophobicContact CD1-CD1 4.22Å; I114-L129 HydrophobicContact CD1-CD2 4.23Å; I114-L129 HydrophobicContact CD1-CG 4.4Å
115Q98.4Very high98.4Very high106 Ų10643.2 Ų43.250%0.49523%0.229SC..Hα-helixtrans-68.5-23.6-176.1-70.8176.7-24.200113.3I111 K112 L121 L157I111-Q115 HydrophobicContact CG2-CG 4.37Å; I111-Q115 WeakPolarHBondContact O-CB 3.4Å; I111-Q115 WeakPolarHBondContact O-CG 3.43Å; I111-Q115 PolarHBondContact O-N 2.83Å; K112-Q115 PolarHBondContact O-N 2.79Å; Q115-L121 VanDerWaalsContact O-CD2 3.3Å; Q115-L121 WeakPolarHBondContact O-CD2 3.34Å; Q115-L157 VanDerWaalsContact NE2-CD2 3.35Å
116S98.5Very high98.5Very high49 Ų4944.6 Ų44.634%0.34323%0.23SC..Hα-helixtrans-97.5-5.2-179-50.20000113.4K112 G113 I114 P118K112-S116 WeakPolarHBondContact O-CB 2.97Å; K112-S116 PolarHBondContact O-N 2.88Å; K112-S116 PolarHBondContact O-OG 2.93Å; G113-S116 PolarHBondContact O-N 2.71Å; I114-S116 PolarHBondContact O-N 3.2Å; S116-P118 WeakPolarHBondContact O-CD 3.5Å
117A98.7Very high98.5Very high0 Ų045.7 Ų45.70%024%0.237CC..  trans-64.7124.6178.200000110.2I77 I80 G113 I114 S119 V120 L121I77-A117 HydrophobicContact CG1-CB 4.47Å; I77-A117 HydrophobicContact CG2-CB 4.46Å; I80-A117 HydrophobicContact CB-CB 4.26Å; I80-A117 HydrophobicContact CD1-CB 4.03Å; I80-A117 HydrophobicContact CG2-CB 3.91Å; G113-A117 PolarHBondContact O-N 2.69Å; G113-A117 VanDerWaalsContact O-N 3.1Å; I114-A117 PolarHBondContact O-N 3.22Å; A117-S119 VanDerWaalsContact C-N 3.29Å; A117-S119 PolarHBondContact O-N 3.49Å; A117-V120 HydrophobicContact CB-CB 4.24Å; A117-V120 HydrophobicContact CB-CG2 3.93Å; A117-V120 WeakPolarHBondContact O-CB 3.3Å; A117-V120 PolarHBondContact O-N 3.21Å; A117-L121 PolarHBondContact O-N 3Å
118P98.7Very high98.5Very high64 Ų6447 Ų4742%0.41624%0.243SC..Hα-helixtrans-53.5-41.4-177-29.735.9000114.3E81 S116 V120 L121 D122E81-P118 WeakPolarHBondContact OE1-CD 3.45Å; S116-P118 WeakPolarHBondContact O-CD 3.5Å; P118-V120 VanDerWaalsContact C-N 3.29Å; P118-V120 PolarHBondContact O-N 2.97Å; P118-L121 PolarHBondContact O-N 3.24Å; P118-D122 WeakPolarHBondContact O-CB 3.45Å; P118-D122 PolarHBondContact O-N 3.3Å
119S98.6Very high98.5Very high1 Ų143.6 Ų43.61%0.00723%0.225CC..Hα-helixtrans-67.3-27.3179.360.10000113.8E81 H84 A117 N123 K124 I125E81-S119 WeakPolarHBondContact OE1-CB 3.42Å; E81-S119 PolarHBondContact OE1-N 3.15Å; E81-S119 PolarHBondContact OE1-OG 3.13Å; H84-S119 WeakPolarHBondContact CD2-CB 3.47Å; H84-S119 VanDerWaalsContact CG-CB 3.49Å; A117-S119 VanDerWaalsContact C-N 3.29Å; A117-S119 PolarHBondContact O-N 3.49Å; S119-N123 PolarHBondContact O-N 3.05Å; S119-K124 WeakPolarHBondContact O-CB 3.3Å; S119-K124 PolarHBondContact O-N 2.87Å; S119-I125 PolarHBondContact O-N 2.87Å; S119-I125 WeakPolarHBondContact OG-CG2 3.41Å
120V98.6Very high98.5Very high32 Ų3243.3 Ų43.319%0.19422%0.223CC..Hα-helixtrans-74.5-47173.1175.90000110I80 A117 P118 D122 N123 I125 V127I80-V120 HydrophobicContact CG2-CG2 3.99Å; A117-V120 HydrophobicContact CB-CB 4.24Å; A117-V120 HydrophobicContact CB-CG2 3.93Å; A117-V120 WeakPolarHBondContact O-CB 3.3Å; A117-V120 PolarHBondContact O-N 3.21Å; P118-V120 VanDerWaalsContact C-N 3.29Å; P118-V120 PolarHBondContact O-N 2.97Å; V120-D122 VanDerWaalsContact C-N 3.26Å; V120-D122 PolarHBondContact O-N 3.23Å; V120-N123 PolarHBondContact O-N 2.89Å; V120-I125 HydrophobicContact CG2-CG2 3.87Å; V120-V127 HydrophobicContact CG2-CB 4.33Å; V120-V127 HydrophobicContact CG2-CG2 3.59Å
121L98.5Very high98.5Very high111 Ų11143.3 Ų43.358%0.58122%0.223SC*.Hα-helixtrans-59.3-37.5176.7-68.5171.4000112.2Q115 A117 P118 N123Q115-L121 VanDerWaalsContact O-CD2 3.3Å; Q115-L121 WeakPolarHBondContact O-CD2 3.34Å; A117-L121 PolarHBondContact O-N 3Å; P118-L121 PolarHBondContact O-N 3.24Å; L121-N123 PolarHBondContact O-N 2.69Å
122D98.1Very high98.5Very high93 Ų9342.9 Ų42.950%0.49722%0.221SC..THydrogen-bonded Turntrans-78.81.7176.4-73.1-12.2000113.8P118 V120 K124P118-D122 WeakPolarHBondContact O-CB 3.45Å; P118-D122 PolarHBondContact O-N 3.3Å; V120-D122 VanDerWaalsContact C-N 3.26Å; V120-D122 PolarHBondContact O-N 3.23Å; D122-K124 HydrophobicContact CB-CD 3.9Å; D122-K124 HydrophobicContact CB-CG 3.9Å; D122-K124 PolarHBondContact O-N 3.38Å; D122-K124 IonicContact OD2-NZ 2.64Å; D122-K124 PolarHBondContact OD2-NZ 2.79Å
123N97.1Very high98.5Very high114 Ų11438 Ų3861%0.6120%0.2SC*.THydrogen-bonded Turntrans55.331.5-174.8-57.2-74.7000114.3S119 V120 L121S119-N123 PolarHBondContact O-N 3.05Å; V120-N123 PolarHBondContact O-N 2.89Å; L121-N123 PolarHBondContact O-N 2.69Å
124K97.9Very high98.4Very high96 Ų9639 Ų3942%0.41721%0.205SC..SBendtrans-86-31.8178.2-65.9172.7-179.8151.40112.3H84 S119 D122H84-K124 VanDerWaalsContact CE1-CB 3.45Å; H84-K124 WeakPolarHBondContact CE1-CB 3.39Å; S119-K124 WeakPolarHBondContact O-CB 3.3Å; S119-K124 PolarHBondContact O-N 2.87Å; D122-K124 HydrophobicContact CB-CD 3.9Å; D122-K124 HydrophobicContact CB-CG 3.9Å; D122-K124 PolarHBondContact O-N 3.38Å; D122-K124 IonicContact OD2-NZ 2.64Å; D122-K124 PolarHBondContact OD2-NZ 2.79Å
125I98.7Very high98.3Very high2 Ų238.9 Ų38.91%0.0120%0.204CC..SBendtrans-132.3139.5175.8-171.3172.5000110.6I80 H84 V88 L91 S119 V120 V127I80-I125 HydrophobicContact CG2-CG2 3.98Å; H84-I125 HydrophobicContact CB-CD1 4.36Å; H84-I125 HydrophobicContact CB-CG2 4.42Å; V88-I125 HydrophobicContact CB-CD1 4.21Å; V88-I125 HydrophobicContact CG1-CD1 3.99Å; V88-I125 WeakPolarHBondContact O-CD1 3.36Å; V88-I125 WeakPolarHBondContact O-CG1 3.42Å; L91-I125 HydrophobicContact CB-CD1 3.91Å; S119-I125 PolarHBondContact O-N 2.87Å; S119-I125 WeakPolarHBondContact OG-CG2 3.41Å; V120-I125 HydrophobicContact CG2-CG2 3.87Å; I125-V127 HydrophobicContact CD1-CG2 4.49Å; I125-V127 HydrophobicContact CG1-CG2 4.37Å; I125-V127 HydrophobicContact CG2-CG2 4.27Å
126Y98.6Very high98Very high55 Ų5536.5 Ų36.522%0.21620%0.198CC..EExtended strand (participates in β ladder)trans-91129.8166.8-69.6-79.7000109.7I89 L90 L91 V322 Q325 L326I89-Y126 PolarHBondContact O-N 2.7Å; L90-Y126 CarbonylContact C-O 3.55Å; L90-Y126 VanDerWaalsContact CA-O 3.25Å; L90-Y126 WeakPolarHBondContact CA-O 3.4Å; L91-Y126 PolarHBondContact N-O 3.49Å; Y126-V322 HydrophobicContact CD1-CG1 4.03Å; Y126-V322 HydrophobicContact CD1-CG2 4.07Å; Y126-V322 HydrophobicContact CD2-CG1 3.81Å; Y126-V322 HydrophobicContact CE1-CG1 4.24Å; Y126-V322 HydrophobicContact CE1-CG2 3.78Å; Y126-V322 HydrophobicContact CE2-CG1 4Å; Y126-V322 HydrophobicContact CG-CG1 3.81Å; Y126-Q325 PolarHBondContact OH-OE1 3.43Å; Y126-L326 HydrophobicContact CD2-CD2 3.95Å; Y126-L326 HydrophobicContact CE2-CD2 4.38Å
127V98.8Very high97.8Very high23 Ų2336.9 Ų36.914%0.13919%0.192CC..EExtended strand (participates in β ladder)trans-117.7125.8176.4-1770000109.8I80 L91 L93 I114 V120 I125I80-V127 HydrophobicContact CD1-CG1 4.3Å; I80-V127 HydrophobicContact CD1-CG2 4.2Å; I80-V127 HydrophobicContact CG1-CG1 4.47Å; I80-V127 HydrophobicContact CG1-CG2 4.12Å; I80-V127 HydrophobicContact CG2-CG2 3.83Å; L91-V127 HydrophobicContact CB-CG2 4.42Å; L91-V127 CarbonylContact O-C 3.52Å; L91-V127 VanDerWaalsContact O-CA 3.31Å; L91-V127 WeakPolarHBondContact O-CA 3.36Å; L93-V127 HydrophobicContact CB-CG1 4.35Å; I114-V127 HydrophobicContact CD1-CG1 4.05Å; I114-V127 HydrophobicContact CG1-CG1 3.9Å; I114-V127 HydrophobicContact CG2-CB 3.8Å; I114-V127 HydrophobicContact CG2-CG1 3.83Å; V120-V127 HydrophobicContact CG2-CB 4.33Å; V120-V127 HydrophobicContact CG2-CG2 3.59Å; I125-V127 HydrophobicContact CD1-CG2 4.49Å; I125-V127 HydrophobicContact CG1-CG2 4.37Å; I125-V127 HydrophobicContact CG2-CG2 4.27Å
128I98.6Very high97.6Very high27 Ų2739.9 Ų39.914%0.13821%0.213CC..EExtended strand (participates in β ladder)trans-114133.5177.4-56.1-61.2000108.1L91 E92 L93 S159 C318L91-I128 PolarHBondContact O-N 3.35Å; E92-I128 CarbonylContact C-O 3.57Å; E92-I128 WeakPolarHBondContact CA-O 3.34Å; E92-I128 HydrophobicContact CG-CB 4.07Å; L93-I128 PolarHBondContact N-O 3.3Å; I128-S159 VanDerWaalsContact CG2-CB 3.46Å; I128-S159 WeakPolarHBondContact CG2-OG 3.47Å; I128-C318 HydrophobicContact CD1-CB 4.12Å; I128-C318 HydrophobicContact CG1-CB 4.34Å
129L98.8Very high97.5Very high4 Ų440.9 Ų40.92%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-98.9131.7179.5-175.958.9000111.4L93 T95 L107 V110 I111 I114 L131 V158 S159L93-L129 WeakPolarHBondContact O-CD1 3.4Å; T95-L129 HydrophobicContact CG2-CD1 4.07Å; L107-L129 HydrophobicContact CD1-CD2 3.61Å; V110-L129 HydrophobicContact CG1-CD1 3.84Å; V110-L129 HydrophobicContact CG1-CD2 4.17Å; I111-L129 HydrophobicContact CD1-CD2 4.43Å; I111-L129 HydrophobicContact CG1-CD2 3.75Å; I114-L129 HydrophobicContact CD1-CB 4.04Å; I114-L129 HydrophobicContact CD1-CD1 4.22Å; I114-L129 HydrophobicContact CD1-CD2 4.23Å; I114-L129 HydrophobicContact CD1-CG 4.4Å; L129-L131 HydrophobicContact CD1-CD2 4.3Å; L129-L131 HydrophobicContact CD2-CD2 4.1Å; L129-L131 HydrophobicContact CG-CD2 3.95Å; L129-V158 HydrophobicContact CD2-CG2 3.99Å; L129-V158 HydrophobicContact CG-CG2 4.24Å; L129-S159 PolarHBondContact O-N 3.49Å
130I98.9Very high97.4Very high0 Ų046.1 Ų46.10%024%0.239CC..EExtended strand (participates in β ladder)trans-121.3133173.1-60.2177.6000108.3E92 L93 R94 T95 D162 T190 F317E92-I130 HydrophobicContact CB-CD1 4Å; E92-I130 VanDerWaalsContact OE2-CD1 3.29Å; E92-I130 WeakPolarHBondContact OE2-CD1 3.43Å; L93-I130 PolarHBondContact O-N 3.11Å; R94-I130 VanDerWaalsContact CA-O 3.28Å; R94-I130 WeakPolarHBondContact CA-O 3.49Å; R94-I130 HydrophobicContact CB-CB 4.11Å; R94-I130 HydrophobicContact CB-CG2 4.4Å; T95-I130 PolarHBondContact N-O 3.44Å; T95-I130 VanDerWaalsContact N-O 3.12Å; I130-D162 HydrophobicContact CG2-CB 3.65Å; I130-T190 HydrophobicContact CG2-CG2 4.45Å; I130-F317 HydrophobicContact CD1-CD2 3.77Å; I130-F317 HydrophobicContact CD1-CE2 3.99Å; I130-F317 HydrophobicContact CG1-CD2 4.43Å
131L98.9Very high97.3Very high0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-96.4126.1178.8-52.5-171.9000110.3T95 L97 L107 L129 T145 L148 A149 V158 G160 I161 D162T95-L131 HydrophobicContact CG2-CD2 4.44Å; L97-L131 HydrophobicContact CD1-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD2 4.18Å; L107-L131 HydrophobicContact CD1-CD1 4.33Å; L107-L131 HydrophobicContact CD1-CD2 3.69Å; L107-L131 HydrophobicContact CD2-CD1 4.04Å; L129-L131 HydrophobicContact CD1-CD2 4.3Å; L129-L131 HydrophobicContact CD2-CD2 4.1Å; L129-L131 HydrophobicContact CG-CD2 3.95Å; L131-T145 HydrophobicContact CB-CG2 3.74Å; L131-L148 HydrophobicContact CD1-CB 4.48Å; L131-A149 HydrophobicContact CD1-CB 4.02Å; L131-V158 HydrophobicContact CD1-CG1 4.3Å; L131-V158 HydrophobicContact CD1-CG2 4.18Å; L131-V158 HydrophobicContact CD2-CG2 4.22Å; L131-V158 HydrophobicContact CG-CG1 3.93Å; L131-V158 HydrophobicContact CG-CG2 4.14Å; L131-G160 PolarHBondContact N-O 2.86Å; L131-I161 CarbonylContact O-C 3.44Å; L131-I161 VanDerWaalsContact O-CA 3.23Å; L131-I161 WeakPolarHBondContact O-CA 3.1Å; L131-D162 PolarHBondContact O-N 2.92Å
132S98.8Very high97.3Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-91.6131.8-177-60.60000111.6T95 T96 D162T95-S132 PolarHBondContact O-N 3.1Å; T96-S132 WeakPolarHBondContact OG1-CB 3.45Å; S132-D162 CarbonylContact C-O 3.42Å; S132-D162 WeakPolarHBondContact CA-O 3.47Å; S132-D162 WeakPolarHBondContact CB-OD2 3.16Å; S132-D162 WeakPolarHBondContact OG-CB 3.42Å; S132-D162 PolarHBondContact OG-OD2 3.45Å
133I98.6Very high97.3Very high3 Ų340 Ų402%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-88.1123.6161.3-63168.7000107.3A142 T145 I161 D162 L163 S164 F175 V178 L179I133-A142 HydrophobicContact CD1-CB 4.07Å; I133-A142 HydrophobicContact CG1-CB 4.19Å; I133-A142 HydrophobicContact CG2-CB 3.61Å; I133-T145 HydrophobicContact CG1-CG2 3.99Å; I133-I161 HydrophobicContact CD1-CG2 3.59Å; I133-I161 HydrophobicContact CG1-CG2 3.89Å; I133-D162 PolarHBondContact N-O 3.37Å; I133-L163 HydrophobicContact CB-CD1 4.01Å; I133-L163 HydrophobicContact CG2-CD1 3.76Å; I133-S164 PolarHBondContact O-N 3Å; I133-F175 HydrophobicContact CG2-CD1 3.78Å; I133-F175 HydrophobicContact CG2-CE1 3.8Å; I133-V178 HydrophobicContact CD1-CG1 3.63Å; I133-L179 HydrophobicContact CD1-CD2 4.44Å
134D96.7Very high97.4Very high22 Ų2237.6 Ų37.612%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-90.6111172.6177.2-9.2000109.1T96 S136 R137T96-D134 HydrophobicContact CG2-CB 3.92Å; D134-S136 VanDerWaalsContact CG-OG 3.3Å; D134-S136 PolarHBondContact O-N 2.86Å; D134-S136 WeakPolarHBondContact OD1-CB 3.37Å; D134-S136 PolarHBondContact OD1-N 3.45Å; D134-S136 PolarHBondContact OD1-OG 3.23Å; D134-S136 PolarHBondContact OD2-OG 3.28Å; D134-R137 HydrophobicContact CB-CG 4.05Å; D134-R137 PolarHBondContact O-N 2.84Å
135R95.5Very high97.4Very high15 Ų1533.2 Ų33.26%0.05717%0.172CC..THydrogen-bonded Turntrans-61.7-15.5-177.672.8-177.1136-177-10.5114.3R137 L163 S164 G165 N166 P167 V169 F175 E195R135-R137 VanDerWaalsContact C-N 3.34Å; R135-L163 HydrophobicContact CB-CD1 4.15Å; R135-S164 WeakPolarHBondContact CG-O 3.31Å; R135-S164 PolarHBondContact N-O 2.87Å; R135-G165 PolarHBondContact NE-O 3.08Å; R135-G165 VanDerWaalsContact NE-O 3.12Å; R135-G165 PolarHBondContact NH2-O 3.28Å; R135-N166 WeakPolarHBondContact CD-O 3.42Å; R135-N166 VanDerWaalsContact CZ-C 3.49Å; R135-N166 PolarHBondContact NE-O 3.23Å; R135-P167 VanDerWaalsContact CZ-N 3.27Å; R135-P167 PolarHBondContact NH1-O 3.39Å; R135-V169 WeakPolarHBondContact CD-O 3.42Å; R135-V169 WeakPolarHBondContact CG-O 3.42Å; R135-F175 HydrophobicContact CB-CD2 4.41Å; R135-F175 HydrophobicContact CB-CE2 3.71Å; R135-F175 HydrophobicContact CB-CZ 4.16Å; R135-E195 IonicContact CZ-OE2 2.75Å; R135-E195 IonicContact NH2-OE1 2.7Å; R135-E195 IonicContact NH2-OE2 3.66Å; R135-E195 PolarHBondContact NH2-OE2 3.43Å
136S92.7Very high97.4Very high55 Ų5533.4 Ų33.439%0.38517%0.173SC..THydrogen-bonded Turntrans-85.1-717775.30000113.7D134D134-S136 VanDerWaalsContact CG-OG 3.3Å; D134-S136 PolarHBondContact O-N 2.86Å; D134-S136 WeakPolarHBondContact OD1-CB 3.37Å; D134-S136 PolarHBondContact OD1-N 3.45Å; D134-S136 PolarHBondContact OD1-OG 3.23Å; D134-S136 PolarHBondContact OD2-OG 3.28Å
137R93.5Very high97.4Very high57 Ų5735.6 Ų35.622%0.21519%0.186CC..SBendtrans-97.8173177.1-63.6179.272.6-174.7-0.5111.2L97 D134 R135 E141L97-R137 PolarHBondContact O-NH1 3.45Å; D134-R137 HydrophobicContact CB-CG 4.05Å; D134-R137 PolarHBondContact O-N 2.84Å; R135-R137 VanDerWaalsContact C-N 3.34Å; R137-E141 HydrophobicContact CB-CB 4.25Å; R137-E141 HydrophobicContact CB-CG 4.31Å; R137-E141 IonicContact CZ-OE1 2.58Å; R137-E141 IonicContact CZ-OE2 3.62Å; R137-E141 IonicContact NE-OE2 3.15Å; R137-E141 IonicContact NH1-OE2 2.7Å; R137-E141 IonicContact NH2-OE1 3.03Å; R137-E141 PolarHBondContact NH2-OE1 3.41Å; R137-E141 IonicContact NH2-OE2 3.47Å; R137-E141 PolarHBondContact NH2-OE2 3.26Å
138S94.4Very high97.4Very high63 Ų6334.9 Ų34.944%0.44118%0.181SC..  trans-64.7153.6-178.863.50000112D140 E141S138-D140 PolarHBondContact O-N 3.42Å; S138-E141 WeakPolarHBondContact O-CB 3.45Å; S138-E141 PolarHBondContact O-N 3.46Å; S138-E141 WeakPolarHBondContact OG-CG 3.48Å
139F96.4Very high97.4Very high85 Ų8533.6 Ų33.637%0.37317%0.174SC..Hα-helixtrans-59.9-30.6174.1-170.1-99.6000112.6E141 A142 L143 D174 F175 V178F139-E141 VanDerWaalsContact C-N 3.28Å; F139-E141 PolarHBondContact O-N 3.27Å; F139-A142 VanDerWaalsContact O-CB 3.28Å; F139-A142 WeakPolarHBondContact O-CB 3.28Å; F139-A142 PolarHBondContact O-N 3.27Å; F139-A142 VanDerWaalsContact O-N 3.07Å; F139-L143 HydrophobicContact CD1-CD1 4.06Å; F139-L143 HydrophobicContact CD1-CG 4.13Å; F139-L143 HydrophobicContact CE1-CD1 3.98Å; F139-L143 HydrophobicContact CE1-CD2 3.95Å; F139-L143 HydrophobicContact CE1-CG 3.95Å; F139-L143 HydrophobicContact CZ-CD2 4.41Å; F139-L143 PolarHBondContact O-N 2.99Å; F139-L143 VanDerWaalsContact O-N 3.09Å; F139-D174 WeakPolarHBondContact CE2-O 3.37Å; F139-F175 HydrophobicContact CD2-CD1 4.33Å; F139-F175 HydrophobicContact CD2-CE1 4.25Å; F139-V178 HydrophobicContact CE1-CG2 4.33Å; F139-V178 HydrophobicContact CE2-CG2 3.57Å; F139-V178 HydrophobicContact CZ-CG2 3.42Å; F139-V178 VanDerWaalsContact CZ-CG2 3.42Å
140D97.1Very high97.3Very high112 Ų11234.9 Ų34.960%0.59918%0.18SC*.Hα-helixtrans-60.3-35.6174.3-66-25.2000112.7S138 A142 L143 I144S138-D140 PolarHBondContact O-N 3.42Å; D140-A142 VanDerWaalsContact C-N 3.3Å; D140-A142 PolarHBondContact O-N 2.81Å; D140-L143 PolarHBondContact O-N 3.4Å; D140-I144 WeakPolarHBondContact O-CG1 3.46Å; D140-I144 PolarHBondContact O-N 3.48Å
141E97Very high97.3Very high39 Ų3938.6 Ų38.618%0.18220%0.197CC..Hα-helixtrans-66-34.6175-69.6-82.6-175.900111.8H103 R137 S138 F139 I144 T145H103-E141 IonicContact CD2-OE2 2.82Å; H103-E141 IonicContact CE1-OE1 3.53Å; H103-E141 IonicContact CE1-OE2 3.5Å; H103-E141 IonicContact NE2-OE1 2.76Å; H103-E141 IonicContact NE2-OE2 3.65Å; H103-E141 PolarHBondContact NE2-OE2 2.92Å; R137-E141 HydrophobicContact CB-CB 4.25Å; R137-E141 HydrophobicContact CB-CG 4.31Å; R137-E141 IonicContact CZ-OE1 2.58Å; R137-E141 IonicContact CZ-OE2 3.62Å; R137-E141 IonicContact NE-OE2 3.15Å; R137-E141 IonicContact NH1-OE2 2.7Å; R137-E141 IonicContact NH2-OE1 3.03Å; R137-E141 PolarHBondContact NH2-OE1 3.41Å; R137-E141 IonicContact NH2-OE2 3.47Å; R137-E141 PolarHBondContact NH2-OE2 3.26Å; S138-E141 WeakPolarHBondContact O-CB 3.45Å; S138-E141 PolarHBondContact O-N 3.46Å; S138-E141 WeakPolarHBondContact OG-CG 3.48Å; F139-E141 VanDerWaalsContact C-N 3.28Å; F139-E141 PolarHBondContact O-N 3.27Å; E141-I144 PolarHBondContact O-N 3.2Å; E141-T145 PolarHBondContact O-N 3.42Å; E141-T145 PolarHBondContact O-OG1 3.46Å
142A98.1Very high97.2Very high1 Ų139.4 Ų39.41%0.00820%0.2CC..Hα-helixtrans-65.8-39.9173.200000111.5I133 F139 D140 T145 L146 F175I133-A142 HydrophobicContact CD1-CB 4.07Å; I133-A142 HydrophobicContact CG1-CB 4.19Å; I133-A142 HydrophobicContact CG2-CB 3.61Å; F139-A142 VanDerWaalsContact O-CB 3.28Å; F139-A142 WeakPolarHBondContact O-CB 3.28Å; F139-A142 PolarHBondContact O-N 3.27Å; F139-A142 VanDerWaalsContact O-N 3.07Å; D140-A142 VanDerWaalsContact C-N 3.3Å; D140-A142 PolarHBondContact O-N 2.81Å; A142-T145 PolarHBondContact O-N 3.33Å; A142-L146 PolarHBondContact O-N 3.21Å; A142-F175 HydrophobicContact CB-CD1 3.95Å; A142-F175 HydrophobicContact CB-CE1 3.9Å
143L98.3Very high97.1Very high66 Ų6643.7 Ų43.735%0.34622%0.217SC..Hα-helixtrans-65.6-42.4175.6-64.6177.8000112F139 D140 T145 L146 E147 V178F139-L143 HydrophobicContact CD1-CD1 4.06Å; F139-L143 HydrophobicContact CD1-CG 4.13Å; F139-L143 HydrophobicContact CE1-CD1 3.98Å; F139-L143 HydrophobicContact CE1-CD2 3.95Å; F139-L143 HydrophobicContact CE1-CG 3.95Å; F139-L143 HydrophobicContact CZ-CD2 4.41Å; F139-L143 PolarHBondContact O-N 2.99Å; F139-L143 VanDerWaalsContact O-N 3.09Å; D140-L143 PolarHBondContact O-N 3.4Å; L143-T145 VanDerWaalsContact C-N 3.29Å; L143-T145 PolarHBondContact O-N 3.44Å; L143-L146 PolarHBondContact O-N 3.1Å; L143-E147 WeakPolarHBondContact O-CG 3.41Å; L143-E147 PolarHBondContact O-N 3.31Å; L143-V178 HydrophobicContact CD2-CG2 4.13Å
144I98.3Very high96.8Very high65 Ų6547.9 Ų47.933%0.33325%0.246SC..Hα-helixtrans-58.1-44.6174.1-68166.5000110.6H103 D140 E141 E147 L148H103-I144 HydrophobicContact CB-CG2 3.93Å; D140-I144 WeakPolarHBondContact O-CG1 3.46Å; D140-I144 PolarHBondContact O-N 3.48Å; E141-I144 PolarHBondContact O-N 3.2Å; I144-E147 PolarHBondContact O-N 2.99Å; I144-L148 HydrophobicContact CG2-CD1 4.07Å; I144-L148 PolarHBondContact O-N 2.88Å; I144-L148 VanDerWaalsContact O-N 3.09Å
145T98.6Very high96.5Very high4 Ų451.7 Ų51.73%0.02527%0.267CS..Hα-helixtrans-62.3-43.9178-58.40000111.4L131 I133 E141 A142 L143 A149L131-T145 HydrophobicContact CB-CG2 3.74Å; I133-T145 HydrophobicContact CG1-CG2 3.99Å; E141-T145 PolarHBondContact O-N 3.42Å; E141-T145 PolarHBondContact O-OG1 3.46Å; A142-T145 PolarHBondContact O-N 3.33Å; L143-T145 VanDerWaalsContact C-N 3.29Å; L143-T145 PolarHBondContact O-N 3.44Å; T145-A149 VanDerWaalsContact O-CB 3.26Å; T145-A149 WeakPolarHBondContact O-CB 3.47Å; T145-A149 PolarHBondContact O-N 3.32Å
146L98.6Very high96.4Very high6 Ų654.1 Ų54.13%0.03130%0.296CS..Hα-helixtrans-60.4-47.9175.7174.764.9000112.1A142 L143 L148 A149 K150 I161 V178 T181 A182A142-L146 PolarHBondContact O-N 3.21Å; L143-L146 PolarHBondContact O-N 3.1Å; L146-L148 PolarHBondContact O-N 2.56Å; L146-A149 PolarHBondContact O-N 2.98Å; L146-K150 HydrophobicContact CD1-CD 4.29Å; L146-K150 HydrophobicContact CD1-CG 4.21Å; L146-K150 HydrophobicContact CG-CD 4.37Å; L146-K150 WeakPolarHBondContact O-CG 3.22Å; L146-K150 PolarHBondContact O-N 3.21Å; L146-I161 HydrophobicContact CB-CD1 4.41Å; L146-I161 HydrophobicContact CD1-CD1 3.88Å; L146-V178 HydrophobicContact CB-CG1 4.04Å; L146-V178 HydrophobicContact CD2-CG1 4.1Å; L146-V178 HydrophobicContact CG-CG1 4.48Å; L146-T181 HydrophobicContact CD2-CG2 3.82Å; L146-A182 HydrophobicContact CD1-CB 3.73Å
147E98.3Very high96.6Very high101 Ų10154 Ų5447%0.47229%0.291SS..Hα-helixtrans-60.8-46.3-179.7-68.3-50.1126.400111.9L143 I144 K150 E151L143-E147 WeakPolarHBondContact O-CG 3.41Å; L143-E147 PolarHBondContact O-N 3.31Å; I144-E147 PolarHBondContact O-N 2.99Å; E147-K150 VanDerWaalsContact CD-CE 3.46Å; E147-K150 PolarHBondContact O-N 3.05Å; E147-K150 VanDerWaalsContact OE1-CE 3.32Å; E147-K150 WeakPolarHBondContact OE1-CE 3.37Å; E147-K150 IonicContact OE1-NZ 2.82Å; E147-K150 PolarHBondContact OE1-NZ 3.2Å; E147-K150 WeakPolarHBondContact OE2-CE 3.29Å; E147-K150 IonicContact OE2-NZ 3.63Å; E147-K150 PolarHBondContact OE2-NZ 3.14Å; E147-E151 PolarHBondContact O-N 2.66Å; E147-E151 VanDerWaalsContact O-N 3.1Å
148L98.5Very high96.8Very high8 Ų851.4 Ų51.44%0.04228%0.281CS..Hα-helixtrans-66.6-39.5176.7-70.7172.2000112.1L97 H103 R104 L107 L131 I144 L146 K150 E151 Y152L97-L148 HydrophobicContact CD1-CB 4.2Å; L97-L148 HydrophobicContact CD1-CD1 3.44Å; L97-L148 VanDerWaalsContact CD1-CD1 3.44Å; L97-L148 HydrophobicContact CD1-CG 4.45Å; H103-L148 HydrophobicContact CB-CD1 3.76Å; R104-L148 HydrophobicContact CB-CD2 4.3Å; R104-L148 HydrophobicContact CG-CD2 4.45Å; R104-L148 VanDerWaalsContact CZ-CD2 3.46Å; L107-L148 HydrophobicContact CD2-CB 4Å; L131-L148 HydrophobicContact CD1-CB 4.48Å; I144-L148 HydrophobicContact CG2-CD1 4.07Å; I144-L148 PolarHBondContact O-N 2.88Å; I144-L148 VanDerWaalsContact O-N 3.09Å; L146-L148 PolarHBondContact O-N 2.56Å; L148-K150 PolarHBondContact O-N 3.12Å; L148-E151 PolarHBondContact O-N 3.07Å; L148-Y152 HydrophobicContact CD2-CE2 4.07Å; L148-Y152 VanDerWaalsContact O-CD2 3.24Å; L148-Y152 WeakPolarHBondContact O-CD2 3.47Å; L148-Y152 PolarHBondContact O-N 3.38Å
149A98.6Very high97Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-59.9-45.6176.100000111.6L131 T145 L146 Y153 V158 I161 L187L131-A149 HydrophobicContact CD1-CB 4.02Å; T145-A149 VanDerWaalsContact O-CB 3.26Å; T145-A149 WeakPolarHBondContact O-CB 3.47Å; T145-A149 PolarHBondContact O-N 3.32Å; L146-A149 PolarHBondContact O-N 2.98Å; A149-Y153 WeakPolarHBondContact O-CB 3.27Å; A149-Y153 PolarHBondContact O-N 2.67Å; A149-V158 HydrophobicContact CB-CG1 4.28Å; A149-I161 HydrophobicContact CB-CD1 3.79Å; A149-I161 HydrophobicContact CB-CG1 3.79Å; A149-L187 HydrophobicContact CB-CD1 3.76Å; A149-L187 HydrophobicContact CB-CD2 4.18Å
150K98Very high97.1Very high31 Ų3145.5 Ų45.514%0.13525%0.251CS..Hα-helixtrans-61.7-46.2178.1-70.5-179.9-52.3176.70112L146 E147 L148 Y153 S154 Y185 L187L146-K150 HydrophobicContact CD1-CD 4.29Å; L146-K150 HydrophobicContact CD1-CG 4.21Å; L146-K150 HydrophobicContact CG-CD 4.37Å; L146-K150 WeakPolarHBondContact O-CG 3.22Å; L146-K150 PolarHBondContact O-N 3.21Å; E147-K150 VanDerWaalsContact CD-CE 3.46Å; E147-K150 PolarHBondContact O-N 3.05Å; E147-K150 VanDerWaalsContact OE1-CE 3.32Å; E147-K150 WeakPolarHBondContact OE1-CE 3.37Å; E147-K150 IonicContact OE1-NZ 2.82Å; E147-K150 PolarHBondContact OE1-NZ 3.2Å; E147-K150 WeakPolarHBondContact OE2-CE 3.29Å; E147-K150 IonicContact OE2-NZ 3.63Å; E147-K150 PolarHBondContact OE2-NZ 3.14Å; L148-K150 PolarHBondContact O-N 3.12Å; K150-Y153 PolarHBondContact O-N 3.18Å; K150-S154 PolarHBondContact O-N 2.7Å; K150-Y185 HydrophobicContact CD-CD1 3.9Å; K150-Y185 HydrophobicContact CD-CD2 3.66Å; K150-Y185 HydrophobicContact CD-CE1 3.91Å; K150-Y185 HydrophobicContact CD-CE2 3.68Å; K150-Y185 HydrophobicContact CD-CG 3.78Å; K150-Y185 HydrophobicContact CG-CD1 4.14Å; K150-Y185 HydrophobicContact CG-CD2 4.2Å; K150-Y185 HydrophobicContact CG-CG 3.92Å; K150-L187 HydrophobicContact CG-CD1 4.1Å
151E97.9Very high97.2Very high78 Ų7840.1 Ų40.136%0.36422%0.222SC..Hα-helixtrans-60.3-50.6-179.9-176-173.2150.400111.1R104 E147 L148 Y153 S154R104-E151 IonicContact CZ-OE1 2.74Å; R104-E151 IonicContact CZ-OE2 3.95Å; R104-E151 VanDerWaalsContact CZ-OE2 3.27Å; R104-E151 IonicContact NH1-OE1 2.67Å; R104-E151 PolarHBondContact NH1-OE1 3.23Å; R104-E151 IonicContact NH1-OE2 2.63Å; R104-E151 PolarHBondContact NH1-OE2 2.92Å; R104-E151 IonicContact NH2-OE1 2.92Å; R104-E151 IonicContact NH2-OE2 2.83Å; R104-E151 PolarHBondContact NH2-OE2 2.87Å; E147-E151 PolarHBondContact O-N 2.66Å; E147-E151 VanDerWaalsContact O-N 3.1Å; L148-E151 PolarHBondContact O-N 3.07Å; E151-Y153 PolarHBondContact O-N 3.31Å; E151-S154 PolarHBondContact O-N 3.02Å; E151-S154 PolarHBondContact O-OG 2.9Å
152Y98Very high97.3Very high16 Ų1638.3 Ų38.36%0.06321%0.213CC..Hα-helixtrans-77.9-21-176.4-75.6-104.9000113.3R104 L107 N108 I111 L148 N155 G156 L157R104-Y152 PolarHBondContact NH1-OH 3.07Å; L107-Y152 HydrophobicContact CD2-CD1 4.17Å; L107-Y152 HydrophobicContact CD2-CD2 3.57Å; L107-Y152 HydrophobicContact CD2-CE1 4.2Å; L107-Y152 HydrophobicContact CD2-CE2 3.62Å; L107-Y152 HydrophobicContact CD2-CG 3.84Å; L107-Y152 HydrophobicContact CG-CD1 4.44Å; L107-Y152 HydrophobicContact CG-CE1 4.27Å; L107-Y152 HydrophobicContact CG-CE2 4.44Å; N108-Y152 PolarHBondContact OD1-OH 3.02Å; I111-Y152 HydrophobicContact CD1-CD1 3.23Å; I111-Y152 HydrophobicContact CD1-CE1 3.38Å; I111-Y152 HydrophobicContact CD1-CG 4.27Å; L148-Y152 HydrophobicContact CD2-CE2 4.07Å; L148-Y152 VanDerWaalsContact O-CD2 3.24Å; L148-Y152 WeakPolarHBondContact O-CD2 3.47Å; L148-Y152 PolarHBondContact O-N 3.38Å; Y152-N155 PolarHBondContact O-N 2.59Å; Y152-G156 PolarHBondContact O-N 2.87Å; Y152-L157 HydrophobicContact CD1-CB 4.23Å; Y152-L157 HydrophobicContact CD1-CD1 3.86Å; Y152-L157 HydrophobicContact CE1-CD1 4.43Å; Y152-L157 PolarHBondContact O-N 2.74Å
153Y96.9Very high97.3Very high91 Ų9138.3 Ų38.336%0.35721%0.213SC..Hα-helixtrans-62.3-42.7168.4177.7-98000111.6A149 K150 E151 N155 G156 V158 Y185 G186 L187A149-Y153 WeakPolarHBondContact O-CB 3.27Å; A149-Y153 PolarHBondContact O-N 2.67Å; K150-Y153 PolarHBondContact O-N 3.18Å; E151-Y153 PolarHBondContact O-N 3.31Å; Y153-N155 PolarHBondContact O-N 2.72Å; Y153-N155 VanDerWaalsContact O-N 3.13Å; Y153-G156 PolarHBondContact O-N 3.09Å; Y153-V158 WeakPolarHBondContact CA-O 3.4Å; Y153-V158 VanDerWaalsContact CD2-O 3.32Å; Y153-V158 WeakPolarHBondContact CD2-O 3.33Å; Y153-Y185 WeakPolarHBondContact CE1-O 3.41Å; Y153-G186 PolarHBondContact OH-O 2.98Å; Y153-L187 HydrophobicContact CD2-CD2 3.73Å; Y153-L187 HydrophobicContact CD2-CG 4.13Å; Y153-L187 HydrophobicContact CG-CD2 3.97Å; Y153-L187 HydrophobicContact CG-CG 4.14Å
154S91.7Very high97.3Very high90 Ų9035.4 Ų35.463%0.62920%0.199SC*.Hα-helixtrans-61.8-22.8177.875.20000113.3K150 E151K150-S154 PolarHBondContact O-N 2.7Å; E151-S154 PolarHBondContact O-N 3.02Å; E151-S154 PolarHBondContact O-OG 2.9Å
155N90.8Very high97.1Very high103 Ų10332.9 Ų32.955%0.55119%0.189SC*.THydrogen-bonded Turntrans-940.1175.3-61.7-30.2000113.5Y152 Y153 L157Y152-N155 PolarHBondContact O-N 2.59Å; Y153-N155 PolarHBondContact O-N 2.72Å; Y153-N155 VanDerWaalsContact O-N 3.13Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-L157 HydrophobicContact CB-CD1 4.03Å; N155-L157 HydrophobicContact CB-CG 4.19Å; N155-L157 PolarHBondContact O-N 3.32Å
156G93.4Very high96.8Very high65 Ų6533.6 Ų33.667%0.6719%0.192SC*.THydrogen-bonded Turntrans73.217.7-178.300000115.2Y152 Y153Y152-G156 PolarHBondContact O-N 2.87Å; Y153-G156 PolarHBondContact O-N 3.09Å
157L96Very high96.6Very high54 Ų5433.4 Ų33.428%0.28319%0.192SC..SBendtrans-99.6-20.9-173.2-63.7171.8000114I111 Q115 Y152 N155I111-L157 HydrophobicContact CD1-CB 4.16Å; I111-L157 HydrophobicContact CD1-CD1 4.31Å; I111-L157 HydrophobicContact CG2-CD1 4.31Å; I111-L157 HydrophobicContact CG2-CD2 4.18Å; Q115-L157 VanDerWaalsContact NE2-CD2 3.35Å; Y152-L157 HydrophobicContact CD1-CB 4.23Å; Y152-L157 HydrophobicContact CD1-CD1 3.86Å; Y152-L157 HydrophobicContact CE1-CD1 4.43Å; Y152-L157 PolarHBondContact O-N 2.74Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-L157 HydrophobicContact CB-CD1 4.03Å; N155-L157 HydrophobicContact CB-CG 4.19Å; N155-L157 PolarHBondContact O-N 3.32Å
158V98Very high96.3Very high1 Ų133.6 Ų33.61%0.00620%0.195CC..  trans-128.7138.8176.9169.50000107.7L107 L129 L131 A149 Y153 L187L107-V158 HydrophobicContact CD1-CG2 4.42Å; L129-V158 HydrophobicContact CD2-CG2 3.99Å; L129-V158 HydrophobicContact CG-CG2 4.24Å; L131-V158 HydrophobicContact CD1-CG1 4.3Å; L131-V158 HydrophobicContact CD1-CG2 4.18Å; L131-V158 HydrophobicContact CD2-CG2 4.22Å; L131-V158 HydrophobicContact CG-CG1 3.93Å; L131-V158 HydrophobicContact CG-CG2 4.14Å; A149-V158 HydrophobicContact CB-CG1 4.28Å; Y153-V158 WeakPolarHBondContact CA-O 3.4Å; Y153-V158 VanDerWaalsContact CD2-O 3.32Å; Y153-V158 WeakPolarHBondContact CD2-O 3.33Å; V158-L187 HydrophobicContact CG1-CD2 4.14Å
159S98.3Very high96.1Very high24 Ų2436 Ų3617%0.16821%0.21CC..  trans-110.8-16.8-177.9-64.60000114.4I128 L129 K188I128-S159 VanDerWaalsContact CG2-CB 3.46Å; I128-S159 WeakPolarHBondContact CG2-OG 3.47Å; L129-S159 PolarHBondContact O-N 3.49Å; S159-K188 PolarHBondContact O-N 2.92Å
160G98.5Very high95.8Very high0 Ų038.6 Ų38.60%024%0.237CC..EExtended strand (participates in β ladder)trans-169.7-179.3-176.400000115.6L131 K188L131-G160 PolarHBondContact N-O 2.86Å; G160-K188 CarbonylContact C-O 3.56Å; G160-K188 WeakPolarHBondContact CA-O 3.28Å
161I98.8Very high95.7Very high0 Ų038.3 Ų38.30%024%0.239CC..EExtended strand (participates in β ladder)trans-120.1138.7173.7-64.2-174.8000109.8L131 I133 L146 A149 L179 A182 L187 K188 T189 T190L131-I161 CarbonylContact O-C 3.44Å; L131-I161 VanDerWaalsContact O-CA 3.23Å; L131-I161 WeakPolarHBondContact O-CA 3.1Å; I133-I161 HydrophobicContact CD1-CG2 3.59Å; I133-I161 HydrophobicContact CG1-CG2 3.89Å; L146-I161 HydrophobicContact CB-CD1 4.41Å; L146-I161 HydrophobicContact CD1-CD1 3.88Å; A149-I161 HydrophobicContact CB-CD1 3.79Å; A149-I161 HydrophobicContact CB-CG1 3.79Å; I161-L179 HydrophobicContact CB-CD2 4.47Å; I161-L179 HydrophobicContact CG2-CD2 3.83Å; I161-A182 HydrophobicContact CD1-CB 3.72Å; I161-A182 HydrophobicContact CG1-CB 4.36Å; I161-L187 HydrophobicContact CD1-CD1 4.34Å; I161-L187 HydrophobicContact CG1-CD1 4.47Å; I161-K188 PolarHBondContact N-O 2.89Å; I161-T189 WeakPolarHBondContact O-CA 3.28Å; I161-T190 PolarHBondContact O-N 3.47Å
162D98.8Very high95.6Very high0 Ų034.7 Ų34.70%022%0.222CC..EExtended strand (participates in β ladder)trans-105.8143.9172.1166.872.6000109.6R94 I130 L131 S132 I133 S164 T190 H192R94-D162 IonicContact CZ-OD1 3.33Å; R94-D162 IonicContact NH1-OD1 3.8Å; R94-D162 PolarHBondContact NH1-OD1 2.84Å; I130-D162 HydrophobicContact CG2-CB 3.65Å; L131-D162 PolarHBondContact O-N 2.92Å; S132-D162 CarbonylContact C-O 3.42Å; S132-D162 WeakPolarHBondContact CA-O 3.47Å; S132-D162 WeakPolarHBondContact CB-OD2 3.16Å; S132-D162 WeakPolarHBondContact OG-CB 3.42Å; S132-D162 PolarHBondContact OG-OD2 3.45Å; I133-D162 PolarHBondContact N-O 3.37Å; D162-S164 WeakPolarHBondContact OD2-CB 3.12Å; D162-S164 PolarHBondContact OD2-OG 3.39Å; D162-T190 CarbonylContact C-O 3.59Å; D162-T190 VanDerWaalsContact CA-O 3.26Å; D162-T190 WeakPolarHBondContact CA-O 3.37Å; D162-T190 HydrophobicContact CB-CG2 3.81Å; D162-H192 IonicContact OD1-CE1 2.84Å; D162-H192 PolarHBondContact OD1-CE1 3.24Å; D162-H192 VanDerWaalsContact OD1-CE1 3.32Å; D162-H192 IonicContact OD1-ND1 3.57Å; D162-H192 PolarHBondContact OD1-ND1 3.17Å
163L98.7Very high95.6Very high1 Ų135.4 Ų35.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-116112.3167.6176.465.5000108.8I133 R135 L172 F175 L179 T190 V191 H192I133-L163 HydrophobicContact CB-CD1 4.01Å; I133-L163 HydrophobicContact CG2-CD1 3.76Å; R135-L163 HydrophobicContact CB-CD1 4.15Å; L163-L172 HydrophobicContact CD2-CD2 3.7Å; L163-L172 HydrophobicContact CG-CD2 4.33Å; L163-F175 HydrophobicContact CD1-CB 4.11Å; L163-F175 HydrophobicContact CD1-CD1 4.3Å; L163-F175 HydrophobicContact CD1-CD2 3.9Å; L163-F175 HydrophobicContact CD1-CE2 4.43Å; L163-F175 HydrophobicContact CD1-CG 3.82Å; L163-F175 HydrophobicContact CD2-CB 3.84Å; L163-F175 HydrophobicContact CD2-CD2 4.22Å; L163-F175 HydrophobicContact CD2-CG 4.26Å; L163-L179 HydrophobicContact CB-CD1 4.3Å; L163-L179 HydrophobicContact CD2-CD1 4.02Å; L163-T190 PolarHBondContact N-O 3.1Å; L163-V191 HydrophobicContact CB-CG1 4.17Å; L163-V191 HydrophobicContact CB-CG2 4.21Å; L163-V191 HydrophobicContact CD2-CG1 4.1Å; L163-V191 HydrophobicContact CG-CG1 4.46Å; L163-H192 WeakPolarHBondContact O-CB 3.45Å; L163-H192 PolarHBondContact O-N 2.93Å
164S97.7Very high95.6Very high5 Ų535.5 Ų35.54%0.03524%0.236CC..EExtended strand (participates in β ladder)trans-142.8-150.7-172.8570000110.8I133 R135 D162I133-S164 PolarHBondContact O-N 3Å; R135-S164 WeakPolarHBondContact CG-O 3.31Å; R135-S164 PolarHBondContact N-O 2.87Å; D162-S164 WeakPolarHBondContact OD2-CB 3.12Å; D162-S164 PolarHBondContact OD2-OG 3.39Å
165G94.3Very high95.9Very high13 Ų1331.7 Ų31.713%0.13421%0.208CC..SBendtrans82-169.6-171.900000112.2R135 P167R135-G165 PolarHBondContact NE-O 3.08Å; R135-G165 VanDerWaalsContact NE-O 3.12Å; R135-G165 PolarHBondContact NH2-O 3.28Å; G165-P167 WeakPolarHBondContact O-CD 3.29Å
166N93.2Very high96.3Very high18 Ų1827 Ų2710%0.09618%0.184CC..  trans-63.2115.6-167.1-174.6-24.1000114.8F56 R135 L168 V169F56-N166 HydrophobicContact CD2-CB 3.96Å; F56-N166 HydrophobicContact CE1-CB 4.23Å; F56-N166 VanDerWaalsContact CE2-CA 3.46Å; F56-N166 HydrophobicContact CE2-CB 3.52Å; F56-N166 HydrophobicContact CZ-CB 3.72Å; R135-N166 WeakPolarHBondContact CD-O 3.42Å; R135-N166 VanDerWaalsContact CZ-C 3.49Å; R135-N166 PolarHBondContact NE-O 3.23Å; N166-L168 PolarHBondContact O-N 3.14Å; N166-L168 PolarHBondContact OD1-N 2.94Å; N166-V169 HydrophobicContact CB-CG2 4.02Å; N166-V169 PolarHBondContact O-N 3.39Å
167P93.6Very high96.5Very high3 Ų327.1 Ų27.12%0.01917%0.174CC..THydrogen-bonded Turntrans7.7-73.3150.241.8-28.3000119.3I52 R135 G165 E195 A196 Q199I52-P167 HydrophobicContact CD1-CG 3.86Å; R135-P167 VanDerWaalsContact CZ-N 3.27Å; R135-P167 PolarHBondContact NH1-O 3.39Å; G165-P167 WeakPolarHBondContact O-CD 3.29Å; P167-E195 HydrophobicContact CB-CB 4.01Å; P167-E195 HydrophobicContact CG-CB 3.63Å; P167-E195 HydrophobicContact CG-CG 4.38Å; P167-A196 HydrophobicContact CB-CB 4.07Å; P167-Q199 PolarHBondContact O-NE2 3.45Å; P167-Q199 PolarHBondContact O-OE1 3.26Å
168L93.2Very high96.6Very high104 Ų10424.7 Ų24.755%0.54516%0.162SC..THydrogen-bonded Turntrans-100.82.1-149.6-53177.8000110.8I52 N166 A196I52-L168 HydrophobicContact CG2-CD1 4.29Å; N166-L168 PolarHBondContact O-N 3.14Å; N166-L168 PolarHBondContact OD1-N 2.94Å; L168-A196 HydrophobicContact CD2-CB 3.74Å
169V93.1Very high96.6Very high58 Ų5824.6 Ų24.635%0.35216%0.161SC..SBendtrans-112.4128-176.3-1750000110.3R135 N166R135-V169 WeakPolarHBondContact CD-O 3.42Å; R135-V169 WeakPolarHBondContact CG-O 3.42Å; N166-V169 HydrophobicContact CB-CG2 4.02Å; N166-V169 PolarHBondContact O-N 3.39Å
170G92.2Very high96.6Very high55 Ų5526.4 Ų26.457%0.56717%0.169SC*.SBendtrans70.9-173.3177.500000113.9
171S95.6Very high96.6Very high26 Ų2629 Ų2918%0.18219%0.185CC..  trans-115.7141.4172.4166.80000109.7C173 D174 D202S171-C173 PolarHBondContact O-N 3.4Å; S171-C173 VanDerWaalsContact OG-CB 3.26Å; S171-C173 WeakPolarHBondContact OG-CB 3.3Å; S171-C173 PolarHBondContact OG-N 2.93Å; S171-D174 PolarHBondContact N-OD2 2.78Å; S171-D174 WeakPolarHBondContact O-CB 3.45Å; S171-D174 PolarHBondContact O-N 2.99Å; S171-D202 PolarHBondContact OG-OD1 3.21Å
172L97.3Very high96.6Very high2 Ų229 Ų291%0.0119%0.185CC..G310 helixtrans-59-31.6171.2-63.8173.1000111.1L163 D174 F175 V191 I193 D202 F206L163-L172 HydrophobicContact CD2-CD2 3.7Å; L163-L172 HydrophobicContact CG-CD2 4.33Å; L172-D174 PolarHBondContact O-N 3Å; L172-F175 PolarHBondContact O-N 3.27Å; L172-F175 VanDerWaalsContact O-N 3.15Å; L172-V191 HydrophobicContact CD2-CG1 4.33Å; L172-I193 HydrophobicContact CD1-CD1 4.16Å; L172-I193 HydrophobicContact CD1-CG1 3.84Å; L172-D202 WeakPolarHBondContact CB-OD2 3.36Å; L172-D202 WeakPolarHBondContact CG-OD2 3.48Å; L172-D202 PolarHBondContact N-OD2 3.23Å; L172-F206 HydrophobicContact CB-CB 3.88Å; L172-F206 HydrophobicContact CB-CD1 4.43Å; L172-F206 HydrophobicContact CB-CD2 3.63Å; L172-F206 HydrophobicContact CB-CE2 4.27Å; L172-F206 HydrophobicContact CB-CG 3.7Å; L172-F206 HydrophobicContact CD1-CB 4.4Å; L172-F206 HydrophobicContact CD1-CD1 4.42Å; L172-F206 HydrophobicContact CD1-CG 4.35Å; L172-F206 VanDerWaalsContact O-CD2 3.28Å; L172-F206 WeakPolarHBondContact O-CD2 3.36Å; L172-F206 WeakPolarHBondContact O-CE2 3.36Å
173C97.4Very high96.6Very high30 Ų3034.1 Ų34.120%0.20320%0.204CC..G310 helixtrans-61.4-29.1-178.9-59.50000112.6S171 F175 A176 D202 L209S171-C173 PolarHBondContact O-N 3.4Å; S171-C173 VanDerWaalsContact OG-CB 3.26Å; S171-C173 WeakPolarHBondContact OG-CB 3.3Å; S171-C173 PolarHBondContact OG-N 2.93Å; C173-F175 PolarHBondContact O-N 2.72Å; C173-A176 WeakPolarHBondContact O-CB 3.24Å; C173-A176 PolarHBondContact O-N 3.02Å; C173-D202 PolarHBondContact SG-OD1 3.12Å; C173-D202 VanDerWaalsContact SG-OD1 3.41Å; C173-L209 HydrophobicContact CB-CD1 4.03Å
174D97.4Very high96.5Very high94 Ų9438.5 Ų38.550%0.50324%0.235SC..G310 helixtrans-61.3-31.6179.1-62.8-30.7000111.4F139 S171 L172F139-D174 WeakPolarHBondContact CE2-O 3.37Å; S171-D174 PolarHBondContact N-OD2 2.78Å; S171-D174 WeakPolarHBondContact O-CB 3.45Å; S171-D174 PolarHBondContact O-N 2.99Å; L172-D174 PolarHBondContact O-N 3Å
175F98.2Very high96.5Very high9 Ų944.4 Ų44.44%0.03926%0.257CS..G310 helixtrans-96-3.8-176.5-58.4-81.3000113.7I133 R135 F139 A142 L163 L172 C173 S177 V178 L179I133-F175 HydrophobicContact CG2-CD1 3.78Å; I133-F175 HydrophobicContact CG2-CE1 3.8Å; R135-F175 HydrophobicContact CB-CD2 4.41Å; R135-F175 HydrophobicContact CB-CE2 3.71Å; R135-F175 HydrophobicContact CB-CZ 4.16Å; F139-F175 HydrophobicContact CD2-CD1 4.33Å; F139-F175 HydrophobicContact CD2-CE1 4.25Å; A142-F175 HydrophobicContact CB-CD1 3.95Å; A142-F175 HydrophobicContact CB-CE1 3.9Å; L163-F175 HydrophobicContact CD1-CB 4.11Å; L163-F175 HydrophobicContact CD1-CD1 4.3Å; L163-F175 HydrophobicContact CD1-CD2 3.9Å; L163-F175 HydrophobicContact CD1-CE2 4.43Å; L163-F175 HydrophobicContact CD1-CG 3.82Å; L163-F175 HydrophobicContact CD2-CB 3.84Å; L163-F175 HydrophobicContact CD2-CD2 4.22Å; L163-F175 HydrophobicContact CD2-CG 4.26Å; L172-F175 PolarHBondContact O-N 3.27Å; L172-F175 VanDerWaalsContact O-N 3.15Å; C173-F175 PolarHBondContact O-N 2.72Å; F175-S177 PolarHBondContact O-N 3.27Å; F175-V178 PolarHBondContact O-N 2.76Å; F175-V178 VanDerWaalsContact O-N 3.13Å; F175-L179 WeakPolarHBondContact O-CG 3.38Å; F175-L179 PolarHBondContact O-N 2.89Å
176A98.1Very high96.6Very high5 Ų545.3 Ų45.34%0.04127%0.267CS..Hα-helixtrans-58.6-36.6-17800000112.5C173 N180 F206 L209 H210C173-A176 WeakPolarHBondContact O-CB 3.24Å; C173-A176 PolarHBondContact O-N 3.02Å; A176-N180 VanDerWaalsContact O-CB 3.24Å; A176-N180 WeakPolarHBondContact O-CB 3.36Å; A176-N180 PolarHBondContact O-N 2.65Å; A176-N180 PolarHBondContact O-ND2 2.67Å; A176-N180 VanDerWaalsContact O-ND2 3.14Å; A176-F206 HydrophobicContact CB-CD2 4.34Å; A176-F206 HydrophobicContact CB-CE2 4.22Å; A176-L209 HydrophobicContact CB-CB 3.97Å; A176-L209 HydrophobicContact CB-CD1 4.46Å; A176-H210 HydrophobicContact CB-CB 4.34Å
177S97.8Very high96.9Very high67 Ų6744.6 Ų44.647%0.46926%0.263SS..Hα-helixtrans-65.4-42.3177.260.90000112.4F175 T181F175-S177 PolarHBondContact O-N 3.27Å; S177-T181 WeakPolarHBondContact O-CB 3.2Å; S177-T181 PolarHBondContact O-N 3.32Å; S177-T181 PolarHBondContact O-OG1 3.3Å
178V98.4Very high97.1Very high3 Ų348.4 Ų48.42%0.01828%0.28CS..Hα-helixtrans-64.3-47.3176.8175.40000110.4I133 F139 L143 L146 F175 T181 A182I133-V178 HydrophobicContact CD1-CG1 3.63Å; F139-V178 HydrophobicContact CE1-CG2 4.33Å; F139-V178 HydrophobicContact CE2-CG2 3.57Å; F139-V178 HydrophobicContact CZ-CG2 3.42Å; F139-V178 VanDerWaalsContact CZ-CG2 3.42Å; L143-V178 HydrophobicContact CD2-CG2 4.13Å; L146-V178 HydrophobicContact CB-CG1 4.04Å; L146-V178 HydrophobicContact CD2-CG1 4.1Å; L146-V178 HydrophobicContact CG-CG1 4.48Å; F175-V178 PolarHBondContact O-N 2.76Å; F175-V178 VanDerWaalsContact O-N 3.13Å; V178-T181 WeakPolarHBondContact O-CB 3.21Å; V178-T181 PolarHBondContact O-N 2.76Å; V178-A182 PolarHBondContact O-N 3.43Å
179L98.6Very high97.4Very high0 Ų043.5 Ų43.50%025%0.254CS..Hα-helixtrans-67.3-39.2179.5-64.1174.5000112.5I133 I161 L163 F175 T181 A182 R183 T189 V191 F206 H210I133-L179 HydrophobicContact CD1-CD2 4.44Å; I161-L179 HydrophobicContact CB-CD2 4.47Å; I161-L179 HydrophobicContact CG2-CD2 3.83Å; L163-L179 HydrophobicContact CB-CD1 4.3Å; L163-L179 HydrophobicContact CD2-CD1 4.02Å; F175-L179 WeakPolarHBondContact O-CG 3.38Å; F175-L179 PolarHBondContact O-N 2.89Å; L179-T181 VanDerWaalsContact C-N 3.31Å; L179-T181 PolarHBondContact O-N 2.78Å; L179-A182 WeakPolarHBondContact O-CB 3.33Å; L179-A182 PolarHBondContact O-N 3.33Å; L179-R183 WeakPolarHBondContact O-CG 3.49Å; L179-R183 PolarHBondContact O-N 2.91Å; L179-T189 HydrophobicContact CB-CG2 4.25Å; L179-T189 HydrophobicContact CD2-CG2 4.02Å; L179-V191 HydrophobicContact CD1-CG2 3.8Å; L179-F206 HydrophobicContact CD1-CE2 3.94Å; L179-F206 HydrophobicContact CD1-CZ 3.72Å; L179-H210 VanDerWaalsContact CB-CE1 3.45Å; L179-H210 WeakPolarHBondContact CB-CE1 3.46Å
180N98.6Very high97.7Very high62 Ų6240.7 Ų40.733%0.33224%0.237SC..Hα-helixtrans-63.5-38.8172.8-78.2-29.7000111.5A176 R183 S184 L209 H210A176-N180 VanDerWaalsContact O-CB 3.24Å; A176-N180 WeakPolarHBondContact O-CB 3.36Å; A176-N180 PolarHBondContact O-N 2.65Å; A176-N180 PolarHBondContact O-ND2 2.67Å; A176-N180 VanDerWaalsContact O-ND2 3.14Å; N180-R183 PolarHBondContact O-N 2.65Å; N180-S184 PolarHBondContact O-N 2.97Å; N180-S184 VanDerWaalsContact O-N 3.12Å; N180-L209 PolarHBondContact ND2-O 3.25Å; N180-H210 PolarHBondContact OD1-ND1 3.46Å
181T98.5Very high98Very high55 Ų5538.1 Ų38.134%0.33721%0.21SC..Hα-helixtrans-62.6-47.7173.8-56.50000110.4L146 S177 V178 L179 R183 S184 Y185L146-T181 HydrophobicContact CD2-CG2 3.82Å; S177-T181 WeakPolarHBondContact O-CB 3.2Å; S177-T181 PolarHBondContact O-N 3.32Å; S177-T181 PolarHBondContact O-OG1 3.3Å; V178-T181 WeakPolarHBondContact O-CB 3.21Å; V178-T181 PolarHBondContact O-N 2.76Å; L179-T181 VanDerWaalsContact C-N 3.31Å; L179-T181 PolarHBondContact O-N 2.78Å; T181-R183 VanDerWaalsContact C-N 3.33Å; T181-R183 PolarHBondContact O-N 3.34Å; T181-S184 WeakPolarHBondContact O-CB 3.43Å; T181-S184 PolarHBondContact O-N 3.01Å; T181-S184 VanDerWaalsContact O-N 3.07Å; T181-S184 PolarHBondContact O-OG 3.33Å; T181-Y185 HydrophobicContact CG2-CD2 4.43Å; T181-Y185 HydrophobicContact CG2-CE2 4.19Å; T181-Y185 WeakPolarHBondContact O-CD2 3.2Å; T181-Y185 PolarHBondContact O-N 2.98Å
182A98.4Very high98.1Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-53.1-49.4176.400000112L146 I161 V178 L179 S184 Y185 G186 L187 T189L146-A182 HydrophobicContact CD1-CB 3.73Å; I161-A182 HydrophobicContact CD1-CB 3.72Å; I161-A182 HydrophobicContact CG1-CB 4.36Å; V178-A182 PolarHBondContact O-N 3.43Å; L179-A182 WeakPolarHBondContact O-CB 3.33Å; L179-A182 PolarHBondContact O-N 3.33Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 2.9Å; A182-Y185 PolarHBondContact O-N 3.15Å; A182-G186 PolarHBondContact O-N 2.99Å; A182-L187 HydrophobicContact CB-CB 4.07Å; A182-L187 HydrophobicContact CB-CD1 4.03Å; A182-L187 WeakPolarHBondContact O-CB 3.17Å; A182-L187 PolarHBondContact O-N 2.87Å; A182-T189 HydrophobicContact CB-CG2 4.38Å
183R98Very high98.1Very high106 Ų10637 Ų3740%0.420%0.202SC..Hα-helixtrans-59.8-35.4178.2-71.4-177.369.9-146.92.4113.4L179 N180 T181 Y185 G186 L187 T189 H210 L211L179-R183 WeakPolarHBondContact O-CG 3.49Å; L179-R183 PolarHBondContact O-N 2.91Å; N180-R183 PolarHBondContact O-N 2.65Å; T181-R183 VanDerWaalsContact C-N 3.33Å; T181-R183 PolarHBondContact O-N 3.34Å; R183-Y185 PolarHBondContact O-N 2.92Å; R183-G186 PolarHBondContact O-N 2.91Å; R183-L187 WeakPolarHBondContact CA-O 3.32Å; R183-T189 HydrophobicContact CG-CG2 3.73Å; R183-H210 WeakPolarHBondContact CD-CE1 3.33Å; R183-L211 PolarHBondContact NH1-O 3.31Å
184S97.5Very high98.1Very high93 Ų9335.6 Ų35.665%0.6519%0.192SC*.Hα-helixtrans-64-21.4176.776.50000113.6N180 T181 A182N180-S184 PolarHBondContact O-N 2.97Å; N180-S184 VanDerWaalsContact O-N 3.12Å; T181-S184 WeakPolarHBondContact O-CB 3.43Å; T181-S184 PolarHBondContact O-N 3.01Å; T181-S184 VanDerWaalsContact O-N 3.07Å; T181-S184 PolarHBondContact O-OG 3.33Å; A182-S184 VanDerWaalsContact C-N 3.28Å; A182-S184 PolarHBondContact O-N 2.9Å
185Y97.2Very high98Very high129 Ų12932.8 Ų32.851%0.50618%0.176SC..THydrogen-bonded Turntrans-92.82.1173-76.8-98.1000113.3K150 Y153 T181 A182 R183K150-Y185 HydrophobicContact CD-CD1 3.9Å; K150-Y185 HydrophobicContact CD-CD2 3.66Å; K150-Y185 HydrophobicContact CD-CE1 3.91Å; K150-Y185 HydrophobicContact CD-CE2 3.68Å; K150-Y185 HydrophobicContact CD-CG 3.78Å; K150-Y185 HydrophobicContact CG-CD1 4.14Å; K150-Y185 HydrophobicContact CG-CD2 4.2Å; K150-Y185 HydrophobicContact CG-CG 3.92Å; Y153-Y185 WeakPolarHBondContact CE1-O 3.41Å; T181-Y185 HydrophobicContact CG2-CD2 4.43Å; T181-Y185 HydrophobicContact CG2-CE2 4.19Å; T181-Y185 WeakPolarHBondContact O-CD2 3.2Å; T181-Y185 PolarHBondContact O-N 2.98Å; A182-Y185 PolarHBondContact O-N 3.15Å; R183-Y185 PolarHBondContact O-N 2.92Å
186G97.1Very high97.8Very high33 Ų3333 Ų3334%0.3418%0.18SC..THydrogen-bonded Turntrans88.6-2.1-179.500000115.1Y153 A182 R183Y153-G186 PolarHBondContact OH-O 2.98Å; A182-G186 PolarHBondContact O-N 2.99Å; R183-G186 PolarHBondContact O-N 2.91Å
187L98.5Very high97.5Very high3 Ų334.7 Ų34.72%0.01619%0.194CC..  trans-63137.6171.1-74.8158.2000110.1A149 K150 Y153 V158 I161 A182 R183A149-L187 HydrophobicContact CB-CD1 3.76Å; A149-L187 HydrophobicContact CB-CD2 4.18Å; K150-L187 HydrophobicContact CG-CD1 4.1Å; Y153-L187 HydrophobicContact CD2-CD2 3.73Å; Y153-L187 HydrophobicContact CD2-CG 4.13Å; Y153-L187 HydrophobicContact CG-CD2 3.97Å; Y153-L187 HydrophobicContact CG-CG 4.14Å; V158-L187 HydrophobicContact CG1-CD2 4.14Å; I161-L187 HydrophobicContact CD1-CD1 4.34Å; I161-L187 HydrophobicContact CG1-CD1 4.47Å; A182-L187 HydrophobicContact CB-CB 4.07Å; A182-L187 HydrophobicContact CB-CD1 4.03Å; A182-L187 WeakPolarHBondContact O-CB 3.17Å; A182-L187 PolarHBondContact O-N 2.87Å; R183-L187 WeakPolarHBondContact CA-O 3.32Å
188K98.7Very high97.2Very high83 Ų8339.1 Ų39.136%0.36121%0.212SC..EExtended strand (participates in β ladder)trans-77.4150.7171.8-63-62.4-170.2179.50111.1S159 G160 I161 D213 F317S159-K188 PolarHBondContact O-N 2.92Å; G160-K188 CarbonylContact C-O 3.56Å; G160-K188 WeakPolarHBondContact CA-O 3.28Å; I161-K188 PolarHBondContact N-O 2.89Å; K188-D213 WeakPolarHBondContact CA-OD2 3.26Å; K188-D213 HydrophobicContact CD-CB 4.27Å; K188-D213 VanDerWaalsContact CD-CG 3.44Å; K188-D213 VanDerWaalsContact CD-OD1 3.29Å; K188-D213 WeakPolarHBondContact CD-OD1 3.44Å; K188-D213 WeakPolarHBondContact CD-OD2 3.26Å; K188-D213 IonicContact NZ-OD1 2.85Å; K188-D213 PolarHBondContact NZ-OD1 3.08Å; K188-F317 HydrophobicContact CB-CB 4.39Å; K188-F317 HydrophobicContact CB-CD1 3.72Å; K188-F317 HydrophobicContact CB-CD2 3.41Å; K188-F317 VanDerWaalsContact CB-CD2 3.41Å; K188-F317 HydrophobicContact CB-CE1 3.73Å; K188-F317 HydrophobicContact CB-CE2 3.41Å; K188-F317 VanDerWaalsContact CB-CE2 3.41Å; K188-F317 HydrophobicContact CB-CG 3.58Å; K188-F317 HydrophobicContact CB-CZ 3.58Å; K188-F317 HydrophobicContact CD-CD1 4.15Å; K188-F317 HydrophobicContact CD-CE1 4.23Å; K188-F317 HydrophobicContact CG-CB 4.09Å; K188-F317 HydrophobicContact CG-CD1 3.62Å; K188-F317 HydrophobicContact CG-CD2 4.04Å; K188-F317 HydrophobicContact CG-CE1 4Å; K188-F317 HydrophobicContact CG-CE2 4.38Å; K188-F317 HydrophobicContact CG-CG 3.65Å; K188-F317 HydrophobicContact CG-CZ 4.36Å
189T98.8Very high97.1Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-122132.7175.558.20000112.2I161 L179 A182 R183 H210 P212 D213 R214I161-T189 WeakPolarHBondContact O-CA 3.28Å; L179-T189 HydrophobicContact CB-CG2 4.25Å; L179-T189 HydrophobicContact CD2-CG2 4.02Å; A182-T189 HydrophobicContact CB-CG2 4.38Å; R183-T189 HydrophobicContact CG-CG2 3.73Å; T189-H210 PolarHBondContact OG1-CE1 3.38Å; T189-H210 PolarHBondContact OG1-NE2 3.35Å; T189-P212 WeakPolarHBondContact OG1-CA 3.48Å; T189-D213 PolarHBondContact N-OD2 3.42Å; T189-D213 WeakPolarHBondContact O-CA 3.14Å; T189-D213 WeakPolarHBondContact O-CB 3.48Å; T189-D213 PolarHBondContact O-N 3.13Å; T189-R214 PolarHBondContact O-N 3.06Å
190T98.9Very high97Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-121.7144.1166.2-172.90000108.8I130 I161 D162 L163 R214 E243I130-T190 HydrophobicContact CG2-CG2 4.45Å; I161-T190 PolarHBondContact O-N 3.47Å; D162-T190 CarbonylContact C-O 3.59Å; D162-T190 VanDerWaalsContact CA-O 3.26Å; D162-T190 WeakPolarHBondContact CA-O 3.37Å; D162-T190 HydrophobicContact CB-CG2 3.81Å; L163-T190 PolarHBondContact N-O 3.1Å; T190-R214 WeakPolarHBondContact CA-O 3.39Å; T190-E243 PolarHBondContact OG1-OE1 2.82Å; T190-E243 PolarHBondContact OG1-OE2 3.06Å
191V98.8Very high97Very high0 Ų043.5 Ų43.50%023%0.232CC..EExtended strand (participates in β ladder)trans-139.6125.1-171.81780000109.5L163 L172 L179 I193 F206 P212 R214 L215 G216L163-V191 HydrophobicContact CB-CG1 4.17Å; L163-V191 HydrophobicContact CB-CG2 4.21Å; L163-V191 HydrophobicContact CD2-CG1 4.1Å; L163-V191 HydrophobicContact CG-CG1 4.46Å; L172-V191 HydrophobicContact CD2-CG1 4.33Å; L179-V191 HydrophobicContact CD1-CG2 3.8Å; V191-I193 PolarHBondContact O-N 3.4Å; V191-F206 HydrophobicContact CB-CE1 4.22Å; V191-F206 HydrophobicContact CB-CZ 4.39Å; V191-F206 HydrophobicContact CG1-CE1 3.74Å; V191-F206 HydrophobicContact CG1-CZ 3.92Å; V191-F206 HydrophobicContact CG2-CE1 4.11Å; V191-F206 HydrophobicContact CG2-CZ 3.86Å; V191-P212 HydrophobicContact CB-CB 4.39Å; V191-P212 HydrophobicContact CB-CG 4.32Å; V191-P212 HydrophobicContact CG2-CB 3.82Å; V191-P212 HydrophobicContact CG2-CG 4.16Å; V191-R214 PolarHBondContact N-O 3.34Å; V191-L215 HydrophobicContact CB-CD2 4.15Å; V191-L215 CarbonylContact O-C 3.55Å; V191-L215 WeakPolarHBondContact O-CA 3.38Å; V191-L215 WeakPolarHBondContact O-CD2 3.32Å; V191-G216 PolarHBondContact O-N 3.24Å
192H98.5Very high97Very high4 Ų442.5 Ų42.52%0.01923%0.225CC..EExtended strand (participates in β ladder)trans-68127168.8-68.143.3000109.7H14 H16 R94 D162 L163 E195 H217H14-H192 AromaticContact CE1-CD2 3.88Å; H14-H192 AromaticContact CE1-CE1 3.06Å; H14-H192 PolarHBondContact CE1-CE1 3.44Å; H14-H192 AromaticContact CE1-ND1 3.81Å; H14-H192 AromaticContact CE1-NE2 3.08Å; H14-H192 PolarHBondContact CE1-NE2 3.43Å; H14-H192 AromaticContact NE2-CE1 3.13Å; H14-H192 PolarHBondContact NE2-CE1 2.95Å; H14-H192 AromaticContact NE2-NE2 2.92Å; H14-H192 PolarHBondContact NE2-NE2 2.84Å; H16-H192 AromaticContact CE1-CE1 3.62Å; H16-H192 AromaticContact CE1-NE2 3.47Å; H16-H192 PolarHBondContact CE1-NE2 2.88Å; H16-H192 AromaticContact NE2-CE1 3.88Å; H16-H192 AromaticContact NE2-NE2 3.42Å; H16-H192 PolarHBondContact NE2-NE2 3.18Å; R94-H192 PolarHBondContact NH1-CE1 3.31Å; R94-H192 VanDerWaalsContact NH1-CE1 3.3Å; D162-H192 IonicContact OD1-CE1 2.84Å; D162-H192 PolarHBondContact OD1-CE1 3.24Å; D162-H192 VanDerWaalsContact OD1-CE1 3.32Å; D162-H192 IonicContact OD1-ND1 3.57Å; D162-H192 PolarHBondContact OD1-ND1 3.17Å; L163-H192 WeakPolarHBondContact O-CB 3.45Å; L163-H192 PolarHBondContact O-N 2.93Å; H192-E195 HydrophobicContact CB-CG 4.45Å; H192-E195 VanDerWaalsContact CB-OE2 3.24Å; H192-E195 WeakPolarHBondContact CB-OE2 3.37Å; H192-E195 IonicContact CD2-OE1 3.35Å; H192-E195 PolarHBondContact CD2-OE1 3.22Å; H192-H217 AromaticContact CD2-CD2 3.47Å; H192-H217 PolarHBondContact CD2-CD2 3.47Å; H192-H217 VanDerWaalsContact CD2-CD2 3.47Å; H192-H217 AromaticContact CD2-NE2 3.35Å; H192-H217 PolarHBondContact CD2-NE2 2.87Å; H192-H217 AromaticContact NE2-NE2 3.68Å
193I97.6Very high96.9Very high0 Ų042.7 Ų42.70%023%0.225CC..EExtended strand (participates in β ladder)trans-144.2150.1-179-156.4166.6000110.3L172 V191 E195 W203 F206 L207 L215 G216 G218 L221L172-I193 HydrophobicContact CD1-CD1 4.16Å; L172-I193 HydrophobicContact CD1-CG1 3.84Å; V191-I193 PolarHBondContact O-N 3.4Å; I193-E195 PolarHBondContact O-N 3.23Å; I193-W203 HydrophobicContact CD1-CB 3.6Å; I193-W203 HydrophobicContact CD1-CG 4.01Å; I193-W203 HydrophobicContact CG1-CB 3.77Å; I193-W203 HydrophobicContact CG1-CD2 4.32Å; I193-W203 HydrophobicContact CG1-CG 3.57Å; I193-F206 HydrophobicContact CD1-CD1 4.25Å; I193-L207 HydrophobicContact CD1-CD1 4.05Å; I193-L207 HydrophobicContact CD1-CD2 4.36Å; I193-L207 HydrophobicContact CD1-CG 3.99Å; I193-L215 HydrophobicContact CB-CD2 4.25Å; I193-L215 HydrophobicContact CG2-CB 4.18Å; I193-L215 HydrophobicContact CG2-CD1 4.07Å; I193-L215 HydrophobicContact CG2-CD2 3.77Å; I193-L215 HydrophobicContact CG2-CG 4.21Å; I193-G216 PolarHBondContact N-O 2.98Å; I193-G216 VanDerWaalsContact N-O 3.14Å; I193-G218 WeakPolarHBondContact O-CA 3.09Å; I193-G218 PolarHBondContact O-N 2.78Å; I193-L221 HydrophobicContact CG2-CD1 4.25Å
194A97.3Very high96.9Very high1 Ų137.7 Ų37.71%0.00821%0.207CC..SBendtrans53.440.1176.300000114.1W203 T219 F220 L221A194-W203 VanDerWaalsContact CA-CE2 3.46Å; A194-W203 VanDerWaalsContact CA-CZ2 3.46Å; A194-W203 HydrophobicContact CB-CD2 3.74Å; A194-W203 HydrophobicContact CB-CE3 3.59Å; A194-W203 HydrophobicContact CB-CH2 3.72Å; A194-W203 HydrophobicContact CB-CZ2 3.83Å; A194-W203 HydrophobicContact CB-CZ3 3.57Å; A194-T219 WeakPolarHBondContact O-CB 3.4Å; A194-T219 PolarHBondContact O-N 3.3Å; A194-T219 VanDerWaalsContact O-N 3.1Å; A194-F220 HydrophobicContact CB-CB 4.11Å; A194-F220 WeakPolarHBondContact O-CD2 3.23Å; A194-F220 PolarHBondContact O-N 2.72Å; A194-L221 HydrophobicContact CB-CD2 4.22Å; A194-L221 HydrophobicContact CB-CG 3.79Å
195E94.9Very high96.9Very high35 Ų3538 Ų3816%0.16420%0.196CC..SBendtrans-82.1-27.3173-69.9164.495.200113.3R135 P167 H192 I193 H217 F220R135-E195 IonicContact CZ-OE2 2.75Å; R135-E195 IonicContact NH2-OE1 2.7Å; R135-E195 IonicContact NH2-OE2 3.66Å; R135-E195 PolarHBondContact NH2-OE2 3.43Å; P167-E195 HydrophobicContact CB-CB 4.01Å; P167-E195 HydrophobicContact CG-CB 3.63Å; P167-E195 HydrophobicContact CG-CG 4.38Å; H192-E195 HydrophobicContact CB-CG 4.45Å; H192-E195 VanDerWaalsContact CB-OE2 3.24Å; H192-E195 WeakPolarHBondContact CB-OE2 3.37Å; H192-E195 IonicContact CD2-OE1 3.35Å; H192-E195 PolarHBondContact CD2-OE1 3.22Å; I193-E195 PolarHBondContact O-N 3.23Å; E195-H217 HydrophobicContact CG-CB 3.85Å; E195-H217 WeakPolarHBondContact CG-CD2 3.38Å; E195-H217 IonicContact OE1-CD2 3.2Å; E195-H217 IonicContact OE1-NE2 2.71Å; E195-F220 WeakPolarHBondContact O-CE2 3.22Å
196A93.3Very high97Very high15 Ų1531.9 Ų31.912%0.12417%0.172CC..SBendtrans-119.4155.7175.900000109.9P167 L168 W203 F220P167-A196 HydrophobicContact CB-CB 4.07Å; L168-A196 HydrophobicContact CD2-CB 3.74Å; A196-W203 WeakPolarHBondContact O-CH2 3.42Å; A196-W203 WeakPolarHBondContact O-CZ2 3.43Å; A196-F220 VanDerWaalsContact C-CE2 3.44Å; A196-F220 VanDerWaalsContact O-CD2 3.26Å; A196-F220 WeakPolarHBondContact O-CD2 3.22Å
197A92.7Very high97Very high40 Ų4030.4 Ų30.433%0.33116%0.156SC..SBendtrans-71.5171.117600000111.7Q199 F220A197-Q199 PolarHBondContact O-N 2.77Å; A197-F220 HydrophobicContact CB-CD1 4.23Å; A197-F220 HydrophobicContact CB-CE1 4.03Å; A197-F220 HydrophobicContact CB-CE2 4.49Å; A197-F220 HydrophobicContact CB-CZ 4.17Å
198D92Very high97Very high159 Ų15938.1 Ų38.185%0.8519%0.185SC*.SBendtrans60.417.7167.7-53.8-34.2000117.4
199Q95.5Very high97Very high43 Ų4338.9 Ų38.920%0.20119%0.193CC..  trans-11216.7175.5-58.4178.3-47.500113.3P167 A197 E201 D202 W203P167-Q199 PolarHBondContact O-NE2 3.45Å; P167-Q199 PolarHBondContact O-OE1 3.26Å; A197-Q199 PolarHBondContact O-N 2.77Å; Q199-E201 VanDerWaalsContact C-N 3.25Å; Q199-E201 PolarHBondContact O-N 3.15Å; Q199-E201 VanDerWaalsContact O-N 3.17Å; Q199-D202 WeakPolarHBondContact O-CB 3.4Å; Q199-D202 PolarHBondContact O-N 3.25Å; Q199-W203 HydrophobicContact CB-CZ2 3.65Å; Q199-W203 PolarHBondContact O-N 3.24Å; Q199-W203 PolarHBondContact O-NE1 3.06Å
200S97.4Very high96.9Very high12 Ų1239 Ų398%0.08419%0.193CC..Hα-helixtrans-62.3-28.8-169.962.50000114.7W203 C204 D225 N227 S228S200-W203 VanDerWaalsContact CA-CE3 3.46Å; S200-C204 WeakPolarHBondContact O-CB 3.31Å; S200-C204 PolarHBondContact O-N 2.89Å; S200-C204 VanDerWaalsContact O-N 3.1Å; S200-D225 VanDerWaalsContact CB-OD1 3.31Å; S200-D225 WeakPolarHBondContact CB-OD1 3.5Å; S200-D225 PolarHBondContact OG-OD1 3.32Å; S200-N227 WeakPolarHBondContact O-CB 3.26Å; S200-N227 WeakPolarHBondContact OG-CB 3.46Å; S200-S228 WeakPolarHBondContact CB-OG 3.21Å
201E97.6Very high96.9Very high103 Ų10342.3 Ų42.348%0.48121%0.211SC..Hα-helixtrans-62.8-42.1173.1-172.1174170.600112.1Q199 C204 K205Q199-E201 VanDerWaalsContact C-N 3.25Å; Q199-E201 PolarHBondContact O-N 3.15Å; Q199-E201 VanDerWaalsContact O-N 3.17Å; E201-C204 PolarHBondContact O-N 3.14Å; E201-K205 HydrophobicContact CG-CD 4.26Å; E201-K205 WeakPolarHBondContact O-CG 3.25Å; E201-K205 PolarHBondContact O-N 2.77Å; E201-K205 WeakPolarHBondContact OE1-CE 3.23Å; E201-K205 IonicContact OE1-NZ 2.74Å; E201-K205 PolarHBondContact OE1-NZ 3.18Å
202D97.7Very high96.9Very high34 Ų3442.5 Ų42.518%0.18221%0.212CC..Hα-helixtrans-66.7-43.6-180-168.554.6000111S171 L172 C173 Q199 C204 K205 F206S171-D202 PolarHBondContact OG-OD1 3.21Å; L172-D202 WeakPolarHBondContact CB-OD2 3.36Å; L172-D202 WeakPolarHBondContact CG-OD2 3.48Å; L172-D202 PolarHBondContact N-OD2 3.23Å; C173-D202 PolarHBondContact SG-OD1 3.12Å; C173-D202 VanDerWaalsContact SG-OD1 3.41Å; Q199-D202 WeakPolarHBondContact O-CB 3.4Å; Q199-D202 PolarHBondContact O-N 3.25Å; D202-C204 VanDerWaalsContact C-N 3.34Å; D202-C204 PolarHBondContact O-N 3.25Å; D202-K205 PolarHBondContact O-N 3.28Å; D202-F206 VanDerWaalsContact O-CB 3.27Å; D202-F206 WeakPolarHBondContact O-CB 3.48Å; D202-F206 PolarHBondContact O-N 3.4Å
203W97.6Very high96.9Very high3 Ų344.3 Ų44.31%0.01122%0.222CC..Hα-helixtrans-59.4-45.9176.4-48.6-20.9000111.8I193 A194 A196 Q199 S200 F206 L207 F220 L221 A231I193-W203 HydrophobicContact CD1-CB 3.6Å; I193-W203 HydrophobicContact CD1-CG 4.01Å; I193-W203 HydrophobicContact CG1-CB 3.77Å; I193-W203 HydrophobicContact CG1-CD2 4.32Å; I193-W203 HydrophobicContact CG1-CG 3.57Å; A194-W203 VanDerWaalsContact CA-CE2 3.46Å; A194-W203 VanDerWaalsContact CA-CZ2 3.46Å; A194-W203 HydrophobicContact CB-CD2 3.74Å; A194-W203 HydrophobicContact CB-CE3 3.59Å; A194-W203 HydrophobicContact CB-CH2 3.72Å; A194-W203 HydrophobicContact CB-CZ2 3.83Å; A194-W203 HydrophobicContact CB-CZ3 3.57Å; A196-W203 WeakPolarHBondContact O-CH2 3.42Å; A196-W203 WeakPolarHBondContact O-CZ2 3.43Å; Q199-W203 HydrophobicContact CB-CZ2 3.65Å; Q199-W203 PolarHBondContact O-N 3.24Å; Q199-W203 PolarHBondContact O-NE1 3.06Å; S200-W203 VanDerWaalsContact CA-CE3 3.46Å; W203-F206 PolarHBondContact O-N 2.96Å; W203-L207 WeakPolarHBondContact O-CB 3.37Å; W203-L207 WeakPolarHBondContact O-CG 3.49Å; W203-L207 PolarHBondContact O-N 3.37Å; W203-F220 HydrophobicContact CH2-CB 3.5Å; W203-F220 HydrophobicContact CZ2-CB 4.45Å; W203-F220 HydrophobicContact CZ3-CB 3.95Å; W203-L221 HydrophobicContact CE3-CD2 4.11Å; W203-A231 HydrophobicContact CB-CB 4.37Å
204C96.9Very high97Very high2 Ų244.4 Ų44.41%0.01422%0.222CC..Hα-helixtrans-65-40.5179.6-179.70000111.7S200 E201 D202 R208 N227 A231S200-C204 WeakPolarHBondContact O-CB 3.31Å; S200-C204 PolarHBondContact O-N 2.89Å; S200-C204 VanDerWaalsContact O-N 3.1Å; E201-C204 PolarHBondContact O-N 3.14Å; D202-C204 VanDerWaalsContact C-N 3.34Å; D202-C204 PolarHBondContact O-N 3.25Å; C204-R208 WeakPolarHBondContact O-CG 3.41Å; C204-R208 PolarHBondContact O-N 2.56Å; C204-R208 VanDerWaalsContact SG-CZ 3.6Å; C204-N227 HydrophobicContact CB-CB 4.4Å; C204-A231 HydrophobicContact CB-CB 4.23Å
205K98Very high97Very high99 Ų9944.3 Ų44.343%0.4322%0.222SC..Hα-helixtrans-66-47.7175-75175.6-176.3168.30110.9E201 D202 L207 R208 L209E201-K205 HydrophobicContact CG-CD 4.26Å; E201-K205 WeakPolarHBondContact O-CG 3.25Å; E201-K205 PolarHBondContact O-N 2.77Å; E201-K205 WeakPolarHBondContact OE1-CE 3.23Å; E201-K205 IonicContact OE1-NZ 2.74Å; E201-K205 PolarHBondContact OE1-NZ 3.18Å; D202-K205 PolarHBondContact O-N 3.28Å; K205-L207 PolarHBondContact O-N 3.4Å; K205-R208 WeakPolarHBondContact O-CB 3.48Å; K205-R208 PolarHBondContact O-N 3.34Å; K205-R208 VanDerWaalsContact O-N 3.12Å; K205-L209 WeakPolarHBondContact O-CG 3.48Å; K205-L209 PolarHBondContact O-N 2.93Å
206F98.5Very high97.2Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-56.8-50.3178.6175.6-102000112L172 A176 L179 V191 I193 D202 W203 R208 L209 H210L172-F206 HydrophobicContact CB-CB 3.88Å; L172-F206 HydrophobicContact CB-CD1 4.43Å; L172-F206 HydrophobicContact CB-CD2 3.63Å; L172-F206 HydrophobicContact CB-CE2 4.27Å; L172-F206 HydrophobicContact CB-CG 3.7Å; L172-F206 HydrophobicContact CD1-CB 4.4Å; L172-F206 HydrophobicContact CD1-CD1 4.42Å; L172-F206 HydrophobicContact CD1-CG 4.35Å; L172-F206 VanDerWaalsContact O-CD2 3.28Å; L172-F206 WeakPolarHBondContact O-CD2 3.36Å; L172-F206 WeakPolarHBondContact O-CE2 3.36Å; A176-F206 HydrophobicContact CB-CD2 4.34Å; A176-F206 HydrophobicContact CB-CE2 4.22Å; L179-F206 HydrophobicContact CD1-CE2 3.94Å; L179-F206 HydrophobicContact CD1-CZ 3.72Å; V191-F206 HydrophobicContact CB-CE1 4.22Å; V191-F206 HydrophobicContact CB-CZ 4.39Å; V191-F206 HydrophobicContact CG1-CE1 3.74Å; V191-F206 HydrophobicContact CG1-CZ 3.92Å; V191-F206 HydrophobicContact CG2-CE1 4.11Å; V191-F206 HydrophobicContact CG2-CZ 3.86Å; I193-F206 HydrophobicContact CD1-CD1 4.25Å; D202-F206 VanDerWaalsContact O-CB 3.27Å; D202-F206 WeakPolarHBondContact O-CB 3.48Å; D202-F206 PolarHBondContact O-N 3.4Å; W203-F206 PolarHBondContact O-N 2.96Å; F206-R208 PolarHBondContact O-N 2.82Å; F206-R208 VanDerWaalsContact O-N 3.11Å; F206-L209 CarbonylContact O-C 3.58Å; F206-L209 WeakPolarHBondContact O-CA 3.24Å; F206-L209 WeakPolarHBondContact O-CB 3.32Å; F206-L209 PolarHBondContact O-N 3.1Å; F206-H210 HydrophobicContact CE1-CB 4.47Å; F206-H210 HydrophobicContact CE2-CB 4.02Å; F206-H210 HydrophobicContact CZ-CB 3.93Å; F206-H210 AromaticContact CZ-CD2 3.62Å; F206-H210 PolarHBondContact O-N 3.27Å
207L98.5Very high97.4Very high2 Ų242.1 Ų42.11%0.0121%0.209CC..Hα-helixtrans-64.8-16.2-179.6-72.1172.1000113.9I193 W203 K205 H210 L211 L215 A231 I234 V235 I240I193-L207 HydrophobicContact CD1-CD1 4.05Å; I193-L207 HydrophobicContact CD1-CD2 4.36Å; I193-L207 HydrophobicContact CD1-CG 3.99Å; W203-L207 WeakPolarHBondContact O-CB 3.37Å; W203-L207 WeakPolarHBondContact O-CG 3.49Å; W203-L207 PolarHBondContact O-N 3.37Å; K205-L207 PolarHBondContact O-N 3.4Å; L207-H210 WeakPolarHBondContact CA-O 3.4Å; L207-L211 WeakPolarHBondContact O-CD2 3.32Å; L207-L215 HydrophobicContact CD2-CD1 4.37Å; L207-L215 HydrophobicContact CD2-CD2 4.44Å; L207-A231 HydrophobicContact CD1-CB 4.03Å; L207-I234 HydrophobicContact CB-CB 4.49Å; L207-I234 HydrophobicContact CB-CD1 4.04Å; L207-I234 HydrophobicContact CB-CG2 4.06Å; L207-V235 HydrophobicContact CD1-CG2 3.87Å; L207-I240 HydrophobicContact CD2-CD1 4.39Å
208R97.9Very high97.7Very high165 Ų16540.2 Ų40.262%0.62319%0.193SC*.Hα-helixtrans-84.2-25.6170.1-69.8171.9-178.9169.82.5112.8C204 K205 F206 I234C204-R208 WeakPolarHBondContact O-CG 3.41Å; C204-R208 PolarHBondContact O-N 2.56Å; C204-R208 VanDerWaalsContact SG-CZ 3.6Å; K205-R208 WeakPolarHBondContact O-CB 3.48Å; K205-R208 PolarHBondContact O-N 3.34Å; K205-R208 VanDerWaalsContact O-N 3.12Å; F206-R208 PolarHBondContact O-N 2.82Å; F206-R208 VanDerWaalsContact O-N 3.11Å; R208-I234 HydrophobicContact CG-CD1 3.91Å
209L98.2Very high97.9Very high99 Ų9933 Ų3352%0.51816%0.155SC..Hα-helixtrans-89.9-30.9178.6-63.6173.3000112.5C173 A176 N180 K205 F206C173-L209 HydrophobicContact CB-CD1 4.03Å; A176-L209 HydrophobicContact CB-CB 3.97Å; A176-L209 HydrophobicContact CB-CD1 4.46Å; N180-L209 PolarHBondContact ND2-O 3.25Å; K205-L209 WeakPolarHBondContact O-CG 3.48Å; K205-L209 PolarHBondContact O-N 2.93Å; F206-L209 CarbonylContact O-C 3.58Å; F206-L209 WeakPolarHBondContact O-CA 3.24Å; F206-L209 WeakPolarHBondContact O-CB 3.32Å; F206-L209 PolarHBondContact O-N 3.1Å
210H98.2Very high98Very high2 Ų232.6 Ų32.61%0.00915%0.153CC..  trans-146.9129-176.7-175.778.3000111A176 L179 N180 R183 T189 F206 L207 P212A176-H210 HydrophobicContact CB-CB 4.34Å; L179-H210 VanDerWaalsContact CB-CE1 3.45Å; L179-H210 WeakPolarHBondContact CB-CE1 3.46Å; N180-H210 PolarHBondContact OD1-ND1 3.46Å; R183-H210 WeakPolarHBondContact CD-CE1 3.33Å; T189-H210 PolarHBondContact OG1-CE1 3.38Å; T189-H210 PolarHBondContact OG1-NE2 3.35Å; F206-H210 HydrophobicContact CE1-CB 4.47Å; F206-H210 HydrophobicContact CE2-CB 4.02Å; F206-H210 HydrophobicContact CZ-CB 3.93Å; F206-H210 AromaticContact CZ-CD2 3.62Å; F206-H210 PolarHBondContact O-N 3.27Å; L207-H210 WeakPolarHBondContact CA-O 3.4Å; H210-P212 WeakPolarHBondContact O-CD 3.36Å
211L97.9Very high98.1Very high70 Ų7032 Ų3237%0.36615%0.149SC..  trans-105.7102.6170.1-63.6175.3000108.3R183 L207 I234 I240R183-L211 PolarHBondContact NH1-O 3.31Å; L207-L211 WeakPolarHBondContact O-CD2 3.32Å; L211-I234 HydrophobicContact CD2-CG2 3.62Å; L211-I240 HydrophobicContact CB-CD1 4.41Å; L211-I240 HydrophobicContact CD2-CD1 4Å
212P98.4Very high98Very high5 Ų528.9 Ų28.93%0.03214%0.136CC..  trans-73161.2179.530.5-34.1000111.9T189 V191 H210 R214 L215 I240T189-P212 WeakPolarHBondContact OG1-CA 3.48Å; V191-P212 HydrophobicContact CB-CB 4.39Å; V191-P212 HydrophobicContact CB-CG 4.32Å; V191-P212 HydrophobicContact CG2-CB 3.82Å; V191-P212 HydrophobicContact CG2-CG 4.16Å; H210-P212 WeakPolarHBondContact O-CD 3.36Å; P212-R214 VanDerWaalsContact C-N 3.31Å; P212-R214 WeakPolarHBondContact CB-O 3.45Å; P212-L215 HydrophobicContact CG-CD2 3.44Å; P212-L215 VanDerWaalsContact CG-CD2 3.44Å; P212-L215 HydrophobicContact CG-CG 4.08Å; P212-I240 WeakPolarHBondContact O-CG2 3.47Å
213D98.7Very high98Very high42 Ų4230 Ų3023%0.22514%0.142CC..SBendtrans-70.3-28.6176.1-66-93.9000111.9K188 T189 P241 F317K188-D213 WeakPolarHBondContact CA-OD2 3.26Å; K188-D213 HydrophobicContact CD-CB 4.27Å; K188-D213 VanDerWaalsContact CD-CG 3.44Å; K188-D213 VanDerWaalsContact CD-OD1 3.29Å; K188-D213 WeakPolarHBondContact CD-OD1 3.44Å; K188-D213 WeakPolarHBondContact CD-OD2 3.26Å; K188-D213 IonicContact NZ-OD1 2.85Å; K188-D213 PolarHBondContact NZ-OD1 3.08Å; T189-D213 PolarHBondContact N-OD2 3.42Å; T189-D213 WeakPolarHBondContact O-CA 3.14Å; T189-D213 WeakPolarHBondContact O-CB 3.48Å; T189-D213 PolarHBondContact O-N 3.13Å; D213-P241 VanDerWaalsContact O-CD 3.3Å; D213-P241 WeakPolarHBondContact O-CD 3.43Å; D213-F317 HydrophobicContact CB-CE1 3.68Å; D213-F317 HydrophobicContact CB-CZ 3.77Å
214R98.8Very high97.9Very high1 Ų137.5 Ų37.50%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-147.5164.8172.6-59.7-168.1-49-109-3.3111.9E92 T189 T190 V191 P212 P241 E243 M315 F317E92-R214 IonicContact OE1-NH1 3.81Å; E92-R214 PolarHBondContact OE1-NH1 3.29Å; E92-R214 IonicContact OE2-CZ 2.78Å; E92-R214 IonicContact OE2-NH1 3.54Å; E92-R214 PolarHBondContact OE2-NH1 3.48Å; E92-R214 IonicContact OE2-NH2 2.64Å; E92-R214 PolarHBondContact OE2-NH2 3.13Å; T189-R214 PolarHBondContact O-N 3.06Å; T190-R214 WeakPolarHBondContact CA-O 3.39Å; V191-R214 PolarHBondContact N-O 3.34Å; P212-R214 VanDerWaalsContact C-N 3.31Å; P212-R214 WeakPolarHBondContact CB-O 3.45Å; R214-P241 HydrophobicContact CG-CB 4.36Å; R214-E243 IonicContact CZ-OE1 3.08Å; R214-E243 VanDerWaalsContact CZ-OE1 3.24Å; R214-E243 IonicContact NE-OE1 2.89Å; R214-E243 PolarHBondContact NE-OE1 2.83Å; R214-E243 IonicContact NH2-OE1 3.77Å; R214-E243 PolarHBondContact NH2-OE1 2.86Å; R214-M315 PolarHBondContact NH1-O 2.87Å; R214-F317 HydrophobicContact CG-CE1 4.1Å; R214-F317 HydrophobicContact CG-CZ 4.06Å; R214-F317 VanDerWaalsContact CZ-CZ 3.4Å
215L98.8Very high97.9Very high0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-125.2135174.8-71.5172.7000110.9V191 I193 L207 P212 V235 I240 P241 L242 E243V191-L215 HydrophobicContact CB-CD2 4.15Å; V191-L215 CarbonylContact O-C 3.55Å; V191-L215 WeakPolarHBondContact O-CA 3.38Å; V191-L215 WeakPolarHBondContact O-CD2 3.32Å; I193-L215 HydrophobicContact CB-CD2 4.25Å; I193-L215 HydrophobicContact CG2-CB 4.18Å; I193-L215 HydrophobicContact CG2-CD1 4.07Å; I193-L215 HydrophobicContact CG2-CD2 3.77Å; I193-L215 HydrophobicContact CG2-CG 4.21Å; L207-L215 HydrophobicContact CD2-CD1 4.37Å; L207-L215 HydrophobicContact CD2-CD2 4.44Å; P212-L215 HydrophobicContact CG-CD2 3.44Å; P212-L215 VanDerWaalsContact CG-CD2 3.44Å; P212-L215 HydrophobicContact CG-CG 4.08Å; L215-V235 HydrophobicContact CD1-CG1 4.38Å; L215-V235 HydrophobicContact CD1-CG2 3.58Å; L215-I240 HydrophobicContact CB-CG2 4.48Å; L215-I240 HydrophobicContact CD1-CB 4.44Å; L215-I240 HydrophobicContact CD1-CG2 3.97Å; L215-I240 HydrophobicContact CG-CG2 3.73Å; L215-P241 PolarHBondContact N-O 3.48Å; L215-L242 HydrophobicContact CB-CD2 3.65Å; L215-L242 HydrophobicContact CD1-CD2 4.28Å; L215-L242 CarbonylContact O-C 3.52Å; L215-L242 WeakPolarHBondContact O-CA 3.24Å; L215-E243 PolarHBondContact O-N 3.43Å
216G98.6Very high97.9Very high0 Ų043.2 Ų43.20%021%0.208CC..EExtended strand (participates in β ladder)trans-85.8139.9171.400000112V191 I193 G218V191-G216 PolarHBondContact O-N 3.24Å; I193-G216 PolarHBondContact N-O 2.98Å; I193-G216 VanDerWaalsContact N-O 3.14Å; G216-G218 PolarHBondContact O-N 2.64Å
217H98.2Very high97.8Very high4 Ų445.4 Ų45.42%0.01922%0.22CC..EExtended strand (participates in β ladder)trans65.1-77.5179-53.9-83.2000114.7H14 H192 E195 T219 E243 L244 N249 H262 D278H14-H217 AromaticContact CE1-NE2 3.87Å; H192-H217 AromaticContact CD2-CD2 3.47Å; H192-H217 PolarHBondContact CD2-CD2 3.47Å; H192-H217 VanDerWaalsContact CD2-CD2 3.47Å; H192-H217 AromaticContact CD2-NE2 3.35Å; H192-H217 PolarHBondContact CD2-NE2 2.87Å; H192-H217 AromaticContact NE2-NE2 3.68Å; E195-H217 HydrophobicContact CG-CB 3.85Å; E195-H217 WeakPolarHBondContact CG-CD2 3.38Å; E195-H217 IonicContact OE1-CD2 3.2Å; E195-H217 IonicContact OE1-NE2 2.71Å; H217-T219 PolarHBondContact O-N 2.97Å; H217-E243 WeakPolarHBondContact CA-O 3.32Å; H217-E243 PolarHBondContact N-O 3.06Å; H217-L244 WeakPolarHBondContact O-CD2 3.49Å; H217-N249 PolarHBondContact ND1-ND2 3.42Å; H217-N249 VanDerWaalsContact ND1-ND2 3.18Å; H217-H262 PolarHBondContact O-NE2 2.73Å; H217-D278 IonicContact CE1-OD2 3.97Å; H217-D278 PolarHBondContact CE1-OD2 2.98Å; H217-D278 IonicContact NE2-OD2 2.83Å
218G97.6Very high97.8Very high0 Ų045.3 Ų45.30%022%0.219CC..  trans61.123.4-173.900000114I193 G216 F220 L221 H262I193-G218 WeakPolarHBondContact O-CA 3.09Å; I193-G218 PolarHBondContact O-N 2.78Å; G216-G218 PolarHBondContact O-N 2.64Å; G218-F220 PolarHBondContact O-N 2.99Å; G218-L221 WeakPolarHBondContact O-CB 3.42Å; G218-L221 PolarHBondContact O-N 3.17Å; G218-H262 PolarHBondContact O-CD2 3.06Å
219T97.7Very high97.8Very high6 Ų639.3 Ų39.34%0.03720%0.201CC..G310 helixtrans-58.1-51.6-169.5-50.70000112.2A194 H217 L221 T222 N249 A254 V255 H262A194-T219 WeakPolarHBondContact O-CB 3.4Å; A194-T219 PolarHBondContact O-N 3.3Å; A194-T219 VanDerWaalsContact O-N 3.1Å; H217-T219 PolarHBondContact O-N 2.97Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 2.81Å; T219-T222 PolarHBondContact O-OG1 2.88Å; T219-N249 PolarHBondContact OG1-ND2 2.99Å; T219-N249 PolarHBondContact OG1-OD1 3.06Å; T219-A254 HydrophobicContact CG2-CB 4.12Å; T219-V255 HydrophobicContact CG2-CG2 3.47Å; T219-V255 VanDerWaalsContact CG2-CG2 3.47Å; T219-H262 WeakPolarHBondContact CA-NE2 2.98Å
220F97.7Very high97.8Very high36 Ų3636.9 Ų36.916%0.15819%0.188CC..G310 helixtrans-86.71.7-178.8-65.7-75000113.9A194 E195 A196 A197 W203 G218 T222 N223 A254A194-F220 HydrophobicContact CB-CB 4.11Å; A194-F220 WeakPolarHBondContact O-CD2 3.23Å; A194-F220 PolarHBondContact O-N 2.72Å; E195-F220 WeakPolarHBondContact O-CE2 3.22Å; A196-F220 VanDerWaalsContact C-CE2 3.44Å; A196-F220 VanDerWaalsContact O-CD2 3.26Å; A196-F220 WeakPolarHBondContact O-CD2 3.22Å; A197-F220 HydrophobicContact CB-CD1 4.23Å; A197-F220 HydrophobicContact CB-CE1 4.03Å; A197-F220 HydrophobicContact CB-CE2 4.49Å; A197-F220 HydrophobicContact CB-CZ 4.17Å; W203-F220 HydrophobicContact CH2-CB 3.5Å; W203-F220 HydrophobicContact CZ2-CB 4.45Å; W203-F220 HydrophobicContact CZ3-CB 3.95Å; G218-F220 PolarHBondContact O-N 2.99Å; F220-T222 PolarHBondContact O-N 2.92Å; F220-T222 VanDerWaalsContact O-N 3.12Å; F220-N223 VanDerWaalsContact O-CB 3.29Å; F220-N223 WeakPolarHBondContact O-CB 3.28Å; F220-N223 PolarHBondContact O-N 3.44Å; F220-A254 HydrophobicContact CE2-CB 4.03Å; F220-A254 HydrophobicContact CZ-CB 4.23Å; F220-A254 WeakPolarHBondContact CZ-O 3.26Å
221L97.7Very high97.8Very high0 Ų036.8 Ų36.80%019%0.188CC..G310 helixtrans-62.4-20174-74.6175.6000112.2I193 A194 W203 G218 T219 N223 A231 R232 V235 L242 W266I193-L221 HydrophobicContact CG2-CD1 4.25Å; A194-L221 HydrophobicContact CB-CD2 4.22Å; A194-L221 HydrophobicContact CB-CG 3.79Å; W203-L221 HydrophobicContact CE3-CD2 4.11Å; G218-L221 WeakPolarHBondContact O-CB 3.42Å; G218-L221 PolarHBondContact O-N 3.17Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 2.81Å; L221-N223 VanDerWaalsContact C-N 3.28Å; L221-A231 HydrophobicContact CD2-CB 3.87Å; L221-R232 WeakPolarHBondContact O-CD 3.26Å; L221-R232 PolarHBondContact O-NH1 3.11Å; L221-V235 HydrophobicContact CD1-CG2 4.19Å; L221-L242 HydrophobicContact CD1-CD2 4.26Å; L221-W266 HydrophobicContact CB-CZ2 3.99Å; L221-W266 HydrophobicContact CD1-CH2 4.49Å; L221-W266 HydrophobicContact CD1-CZ2 4.23Å
222T96.6Very high97.8Very high37 Ų3734.8 Ų34.823%0.22718%0.175CC..G310 helixtrans-81.9-4177.454.30000113.7T219 F220 H262 Y265 W266T219-T222 PolarHBondContact O-OG1 2.88Å; F220-T222 PolarHBondContact O-N 2.92Å; F220-T222 VanDerWaalsContact O-N 3.12Å; T222-H262 HydrophobicContact CG2-CB 3.99Å; T222-Y265 HydrophobicContact CG2-CD1 3.57Å; T222-Y265 HydrophobicContact CG2-CD2 4.09Å; T222-Y265 HydrophobicContact CG2-CE1 4.04Å; T222-Y265 HydrophobicContact CG2-CE2 4.47Å; T222-Y265 HydrophobicContact CG2-CG 3.62Å; T222-W266 HydrophobicContact CG2-CZ2 4.41Å
223N96.7Very high97.8Very high56 Ų5639.8 Ų39.830%0.29920%0.199SC..  trans-61.1155.6175.9-75.8-0.9000112.2F220 L221 D225 S228 R232F220-N223 VanDerWaalsContact O-CB 3.29Å; F220-N223 WeakPolarHBondContact O-CB 3.28Å; F220-N223 PolarHBondContact O-N 3.44Å; L221-N223 VanDerWaalsContact C-N 3.28Å; N223-D225 WeakPolarHBondContact CB-OD2 3.26Å; N223-S228 WeakPolarHBondContact O-CB 3.33Å; N223-R232 PolarHBondContact O-NH1 3.39Å
224I96.1Very high97.7Very high161 Ų16139.4 Ų39.483%0.82620%0.196SC*.  trans-95.3-3-173.762.7170.1000113.6
225D96.8Very high97.7Very high58 Ų5839.3 Ų39.331%0.3120%0.196SC..SBendtrans-63.5153.617473.489.3000110.9S200 N223 N227 S228 V229S200-D225 VanDerWaalsContact CB-OD1 3.31Å; S200-D225 WeakPolarHBondContact CB-OD1 3.5Å; S200-D225 PolarHBondContact OG-OD1 3.32Å; N223-D225 WeakPolarHBondContact CB-OD2 3.26Å; D225-N227 VanDerWaalsContact C-N 3.29Å; D225-N227 PolarHBondContact O-N 3.4Å; D225-N227 PolarHBondContact OD1-N 3.1Å; D225-S228 VanDerWaalsContact CG-OG 3.28Å; D225-S228 PolarHBondContact O-N 3.35Å; D225-S228 PolarHBondContact OD1-N 3.49Å; D225-S228 PolarHBondContact OD1-OG 2.59Å; D225-S228 WeakPolarHBondContact OD2-CB 3.36Å; D225-S228 PolarHBondContact OD2-OG 3.47Å; D225-V229 VanDerWaalsContact O-CG2 3.31Å; D225-V229 WeakPolarHBondContact O-CG2 3.48Å; D225-V229 PolarHBondContact O-N 3.48Å
226K97.3Very high97.7Very high164 Ų16442 Ų4271%0.71321%0.209SC*.Hα-helixtrans-53-43.9-172.3179.3-178.2174.9-176.30112.8L230K226-L230 HydrophobicContact CG-CD1 4.23Å; K226-L230 VanDerWaalsContact O-CG 3.3Å; K226-L230 WeakPolarHBondContact O-CG 3.12Å; K226-L230 PolarHBondContact O-N 2.89Å; K226-L230 VanDerWaalsContact O-N 3.14Å
227N97.7Very high97.7Very high45 Ų4550.9 Ų50.924%0.24125%0.248CC..Hα-helixtrans-78.5-33.5-174.2-68-37.9000111.7S200 C204 D225 V229 L230 A231S200-N227 WeakPolarHBondContact O-CB 3.26Å; S200-N227 WeakPolarHBondContact OG-CB 3.46Å; C204-N227 HydrophobicContact CB-CB 4.4Å; D225-N227 VanDerWaalsContact C-N 3.29Å; D225-N227 PolarHBondContact O-N 3.4Å; D225-N227 PolarHBondContact OD1-N 3.1Å; N227-V229 VanDerWaalsContact C-N 3.34Å; N227-L230 PolarHBondContact O-N 3.4Å; N227-A231 WeakPolarHBondContact O-CB 3.49Å; N227-A231 PolarHBondContact O-N 2.88Å
228S97.9Very high97.6Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-63.3-40.4171.5-650000111.7S200 N223 D225 A231 R232S200-S228 WeakPolarHBondContact CB-OG 3.21Å; N223-S228 WeakPolarHBondContact O-CB 3.33Å; D225-S228 VanDerWaalsContact CG-OG 3.28Å; D225-S228 PolarHBondContact O-N 3.35Å; D225-S228 PolarHBondContact OD1-N 3.49Å; D225-S228 PolarHBondContact OD1-OG 2.59Å; D225-S228 WeakPolarHBondContact OD2-CB 3.36Å; D225-S228 PolarHBondContact OD2-OG 3.47Å; S228-A231 PolarHBondContact O-N 3.46Å; S228-R232 WeakPolarHBondContact O-CB 3.22Å; S228-R232 PolarHBondContact O-N 3.49Å
229V97.8Very high97.6Very high39 Ų3960.4 Ų60.424%0.23630%0.296CS..Hα-helixtrans-59.6-49.2173.9175.70000110.7D225 N227 R232 E233D225-V229 VanDerWaalsContact O-CG2 3.31Å; D225-V229 WeakPolarHBondContact O-CG2 3.48Å; D225-V229 PolarHBondContact O-N 3.48Å; N227-V229 VanDerWaalsContact C-N 3.34Å; V229-R232 PolarHBondContact O-N 2.93Å; V229-E233 WeakPolarHBondContact O-CG 3.49Å; V229-E233 PolarHBondContact O-N 3.24Å
230L98.1Very high97.7Very high48 Ų4860.5 Ų60.525%0.25130%0.296SS..Hα-helixtrans-64-43.3179.9-69.4171.3000112.6K226 N227 E233 I234K226-L230 HydrophobicContact CG-CD1 4.23Å; K226-L230 VanDerWaalsContact O-CG 3.3Å; K226-L230 WeakPolarHBondContact O-CG 3.12Å; K226-L230 PolarHBondContact O-N 2.89Å; K226-L230 VanDerWaalsContact O-N 3.14Å; N227-L230 PolarHBondContact O-N 3.4Å; L230-E233 PolarHBondContact O-N 2.87Å; L230-I234 WeakPolarHBondContact O-CG1 3.2Å; L230-I234 PolarHBondContact O-N 3.45Å
231A98.4Very high97.7Very high0 Ų059.7 Ų59.70%030%0.295CS..Hα-helixtrans-60.5-46.5175.200000110.9W203 C204 L207 L221 N227 S228 E233 I234 V235W203-A231 HydrophobicContact CB-CB 4.37Å; C204-A231 HydrophobicContact CB-CB 4.23Å; L207-A231 HydrophobicContact CD1-CB 4.03Å; L221-A231 HydrophobicContact CD2-CB 3.87Å; N227-A231 WeakPolarHBondContact O-CB 3.49Å; N227-A231 PolarHBondContact O-N 2.88Å; S228-A231 PolarHBondContact O-N 3.46Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.42Å; A231-I234 WeakPolarHBondContact O-CB 3.24Å; A231-I234 PolarHBondContact O-N 3.16Å; A231-I234 VanDerWaalsContact O-N 3.16Å; A231-V235 WeakPolarHBondContact O-CG2 3.46Å; A231-V235 PolarHBondContact O-N 2.98Å; A231-V235 VanDerWaalsContact O-N 3.09Å
232R98Very high97.8Very high28 Ų2859.7 Ų59.711%0.10630%0.295CS..Hα-helixtrans-61.8-38.2177.2-178.517365-112.74.7112.8L221 N223 S228 V229 I234 V235 L236 Y265 W266L221-R232 WeakPolarHBondContact O-CD 3.26Å; L221-R232 PolarHBondContact O-NH1 3.11Å; N223-R232 PolarHBondContact O-NH1 3.39Å; S228-R232 WeakPolarHBondContact O-CB 3.22Å; S228-R232 PolarHBondContact O-N 3.49Å; V229-R232 PolarHBondContact O-N 2.93Å; R232-I234 VanDerWaalsContact C-N 3.34Å; R232-I234 PolarHBondContact O-N 2.87Å; R232-V235 PolarHBondContact O-N 3.35Å; R232-L236 HydrophobicContact CG-CD1 3.97Å; R232-L236 HydrophobicContact CG-CG 4.33Å; R232-L236 WeakPolarHBondContact O-CB 3.4Å; R232-L236 WeakPolarHBondContact O-CG 3.41Å; R232-L236 PolarHBondContact O-N 3.26Å; R232-Y265 VanDerWaalsContact CD-OH 3.26Å; R232-Y265 WeakPolarHBondContact CD-OH 3.34Å; R232-Y265 PolarHBondContact NE-OH 3.25Å; R232-Y265 VanDerWaalsContact NE-OH 3.13Å; R232-W266 HydrophobicContact CG-CH2 3.88Å; R232-W266 HydrophobicContact CG-CZ3 4.44Å
233E98Very high97.9Very high111 Ų11158 Ų5852%0.51928%0.284SS..Hα-helixtrans-61.4-40.9174-77.2177.2175.100112.2V229 L230 A231 K237V229-E233 WeakPolarHBondContact O-CG 3.49Å; V229-E233 PolarHBondContact O-N 3.24Å; L230-E233 PolarHBondContact O-N 2.87Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.42Å; E233-K237 VanDerWaalsContact O-CB 3.23Å; E233-K237 WeakPolarHBondContact O-CB 3.18Å; E233-K237 PolarHBondContact O-N 3.12Å
234I98.3Very high98Very high33 Ų3355.3 Ų55.317%0.16927%0.27CS..Hα-helixtrans-61.5-46.2174.8-63.1165.7000110.2L207 R208 L211 L230 A231 R232 S238L207-I234 HydrophobicContact CB-CB 4.49Å; L207-I234 HydrophobicContact CB-CD1 4.04Å; L207-I234 HydrophobicContact CB-CG2 4.06Å; R208-I234 HydrophobicContact CG-CD1 3.91Å; L211-I234 HydrophobicContact CD2-CG2 3.62Å; L230-I234 WeakPolarHBondContact O-CG1 3.2Å; L230-I234 PolarHBondContact O-N 3.45Å; A231-I234 WeakPolarHBondContact O-CB 3.24Å; A231-I234 PolarHBondContact O-N 3.16Å; A231-I234 VanDerWaalsContact O-N 3.16Å; R232-I234 VanDerWaalsContact C-N 3.34Å; R232-I234 PolarHBondContact O-N 2.87Å; I234-S238 WeakPolarHBondContact O-CB 3.36Å; I234-S238 PolarHBondContact O-N 3.35Å; I234-S238 PolarHBondContact O-OG 3.34Å
235V98.5Very high98.1Very high0 Ų047.6 Ų47.60%023%0.23CC..Hα-helixtrans-60.6-49.4178.7173.10000111.4L207 L215 L221 A231 R232 S238 K239 I240 W266 H271L207-V235 HydrophobicContact CD1-CG2 3.87Å; L215-V235 HydrophobicContact CD1-CG1 4.38Å; L215-V235 HydrophobicContact CD1-CG2 3.58Å; L221-V235 HydrophobicContact CD1-CG2 4.19Å; A231-V235 WeakPolarHBondContact O-CG2 3.46Å; A231-V235 PolarHBondContact O-N 2.98Å; A231-V235 VanDerWaalsContact O-N 3.09Å; R232-V235 PolarHBondContact O-N 3.35Å; V235-S238 PolarHBondContact O-N 3.33Å; V235-K239 WeakPolarHBondContact O-CA 3.47Å; V235-K239 PolarHBondContact O-N 3Å; V235-I240 PolarHBondContact O-N 2.98Å; V235-W266 HydrophobicContact CG1-CH2 4.16Å; V235-W266 HydrophobicContact CG1-CZ3 4.3Å; V235-H271 PolarHBondContact O-CE1 3.31Å
236L98.1Very high98.1Very high55 Ų5544.9 Ų44.929%0.28822%0.216SC..Hα-helixtrans-63-46.4179.6-72.9169.9000112R232 S238 K239 W266 K269R232-L236 HydrophobicContact CG-CD1 3.97Å; R232-L236 HydrophobicContact CG-CG 4.33Å; R232-L236 WeakPolarHBondContact O-CB 3.4Å; R232-L236 WeakPolarHBondContact O-CG 3.41Å; R232-L236 PolarHBondContact O-N 3.26Å; L236-S238 PolarHBondContact O-N 3.09Å; L236-K239 PolarHBondContact O-N 3.49Å; L236-W266 HydrophobicContact CD2-CE3 4.33Å; L236-W266 HydrophobicContact CD2-CZ3 3.8Å; L236-W266 HydrophobicContact CG-CZ3 4.2Å; L236-K269 HydrophobicContact CD2-CB 4.31Å
237K98Very high98.1Very high188 Ų18837.3 Ų37.382%0.81718%0.183SC*.Hα-helixtrans-65.7-39.8-178.9-176.3178.5178.1-178.40112E233 K239E233-K237 VanDerWaalsContact O-CB 3.23Å; E233-K237 WeakPolarHBondContact O-CB 3.18Å; E233-K237 PolarHBondContact O-N 3.12Å; K237-K239 VanDerWaalsContact C-N 3.31Å
238S97.5Very high98Very high52 Ų5235.5 Ų35.536%0.36417%0.174SC..Hα-helixtrans-84.4-7.9-178.6-50.10000112.8I234 V235 L236 I240I234-S238 WeakPolarHBondContact O-CB 3.36Å; I234-S238 PolarHBondContact O-N 3.35Å; I234-S238 PolarHBondContact O-OG 3.34Å; V235-S238 PolarHBondContact O-N 3.33Å; L236-S238 PolarHBondContact O-N 3.09Å; S238-I240 PolarHBondContact O-N 3.45Å
239K97.6Very high97.9Very high152 Ų15235.6 Ų35.666%0.66118%0.175SC*.THydrogen-bonded Turntrans53.735.6-175.8-58.1-177.1178.9-179.20113.2V235 L236 K237 P241V235-K239 WeakPolarHBondContact O-CA 3.47Å; V235-K239 PolarHBondContact O-N 3Å; L236-K239 PolarHBondContact O-N 3.49Å; K237-K239 VanDerWaalsContact C-N 3.31Å; K239-P241 WeakPolarHBondContact O-CD 3.38Å
240I98.3Very high97.7Very high8 Ų835 Ų354%0.04117%0.171CC..  trans-68.4116.9179.6-59.1166000108.2L207 L211 P212 L215 V235 S238 H271L207-I240 HydrophobicContact CD2-CD1 4.39Å; L211-I240 HydrophobicContact CB-CD1 4.41Å; L211-I240 HydrophobicContact CD2-CD1 4Å; P212-I240 WeakPolarHBondContact O-CG2 3.47Å; L215-I240 HydrophobicContact CB-CG2 4.48Å; L215-I240 HydrophobicContact CD1-CB 4.44Å; L215-I240 HydrophobicContact CD1-CG2 3.97Å; L215-I240 HydrophobicContact CG-CG2 3.73Å; V235-I240 PolarHBondContact O-N 2.98Å; S238-I240 PolarHBondContact O-N 3.45Å; I240-H271 PolarHBondContact O-CE1 3.48Å; I240-H271 PolarHBondContact O-NE2 3.05Å
241P98.6Very high97.4Very high19 Ų1936.2 Ų36.212%0.12317%0.174CC..  trans-66.1153.9-177.6-23.436.7000114.1D213 R214 L215 K239 P272 M315D213-P241 VanDerWaalsContact O-CD 3.3Å; D213-P241 WeakPolarHBondContact O-CD 3.43Å; R214-P241 HydrophobicContact CG-CB 4.36Å; L215-P241 PolarHBondContact N-O 3.48Å; K239-P241 WeakPolarHBondContact O-CD 3.38Å; P241-P272 VanDerWaalsContact CA-O 3.28Å; P241-P272 WeakPolarHBondContact CA-O 3.46Å; P241-P272 HydrophobicContact CB-CB 4.05Å; P241-P272 HydrophobicContact CB-CG 4.14Å; P241-P272 HydrophobicContact CG-CB 4.12Å; P241-P272 HydrophobicContact CG-CG 3.98Å; P241-M315 HydrophobicContact CB-CE 3.38Å; P241-M315 HydrophobicContact CB-CG 3.56Å; P241-M315 HydrophobicContact CB-SD 3.54Å; P241-M315 VanDerWaalsContact CB-SD 3.54Å; P241-M315 HydrophobicContact CG-CG 3.76Å; P241-M315 HydrophobicContact CG-SD 4.34Å
242L98.8Very high97Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-114.9131.3-179.1-69.3159.3000112.6L215 L221 L244 W266 P272 I273 C274L215-L242 HydrophobicContact CB-CD2 3.65Å; L215-L242 HydrophobicContact CD1-CD2 4.28Å; L215-L242 CarbonylContact O-C 3.52Å; L215-L242 WeakPolarHBondContact O-CA 3.24Å; L221-L242 HydrophobicContact CD1-CD2 4.26Å; L242-L244 HydrophobicContact CB-CD2 3.88Å; L242-W266 HydrophobicContact CD1-CD2 3.37Å; L242-W266 HydrophobicContact CD1-CE3 3.75Å; L242-W266 HydrophobicContact CD1-CG 3.88Å; L242-W266 HydrophobicContact CD1-CH2 3.77Å; L242-W266 HydrophobicContact CD1-CZ2 3.44Å; L242-W266 VanDerWaalsContact CD1-CZ2 3.44Å; L242-W266 HydrophobicContact CD1-CZ3 3.93Å; L242-P272 PolarHBondContact N-O 2.91Å; L242-I273 HydrophobicContact CB-CG2 4.2Å; L242-I273 CarbonylContact O-C 3.53Å; L242-I273 VanDerWaalsContact O-CA 3.24Å; L242-I273 WeakPolarHBondContact O-CA 3.2Å; L242-C274 PolarHBondContact O-N 2.88Å
243E98.9Very high96.7Very high0 Ų043.6 Ų43.60%021%0.212CC..EExtended strand (participates in β ladder)trans-91.2107.5171.4-50.9161.9172.300108H14 R94 T190 R214 L215 H217 C274H14-E243 HydrophobicContact CB-CB 4.03Å; H14-E243 HydrophobicContact CB-CG 4.42Å; H14-E243 IonicContact CE1-OE2 3.76Å; H14-E243 IonicContact CG-OE2 2.68Å; H14-E243 IonicContact ND1-OE2 3.73Å; H14-E243 PolarHBondContact ND1-OE2 2.8Å; R94-E243 IonicContact CZ-OE2 3.11Å; R94-E243 IonicContact NH1-OE2 2.78Å; R94-E243 PolarHBondContact NH1-OE2 2.85Å; R94-E243 VanDerWaalsContact NH2-CD 3.28Å; R94-E243 IonicContact NH2-OE1 3.22Å; R94-E243 PolarHBondContact NH2-OE1 3.34Å; R94-E243 IonicContact NH2-OE2 2.65Å; R94-E243 PolarHBondContact NH2-OE2 3.39Å; T190-E243 PolarHBondContact OG1-OE1 2.82Å; T190-E243 PolarHBondContact OG1-OE2 3.06Å; R214-E243 IonicContact CZ-OE1 3.08Å; R214-E243 VanDerWaalsContact CZ-OE1 3.24Å; R214-E243 IonicContact NE-OE1 2.89Å; R214-E243 PolarHBondContact NE-OE1 2.83Å; R214-E243 IonicContact NH2-OE1 3.77Å; R214-E243 PolarHBondContact NH2-OE1 2.86Å; L215-E243 PolarHBondContact O-N 3.43Å; H217-E243 WeakPolarHBondContact CA-O 3.32Å; H217-E243 PolarHBondContact N-O 3.06Å; E243-C274 VanDerWaalsContact CA-SG 3.55Å
244L98.7Very high96.5Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-99.8128.1-174.1-56.9-169.6000111.5H217 L242 L246 I263 I273 C274 I275 C276H217-L244 WeakPolarHBondContact O-CD2 3.49Å; L242-L244 HydrophobicContact CB-CD2 3.88Å; L244-L246 HydrophobicContact CB-CD1 4.34Å; L244-I263 HydrophobicContact CD1-CB 3.74Å; L244-I263 HydrophobicContact CD1-CD1 4.16Å; L244-I263 HydrophobicContact CD1-CG1 3.73Å; L244-I273 HydrophobicContact CD1-CB 4.12Å; L244-I273 HydrophobicContact CD1-CD1 3.69Å; L244-I273 HydrophobicContact CD1-CG2 4.17Å; L244-I273 HydrophobicContact CG-CB 4.28Å; L244-I273 HydrophobicContact CG-CG2 4.47Å; L244-C274 WeakPolarHBondContact CB-O 3.42Å; L244-C274 PolarHBondContact N-O 2.94Å; L244-I275 WeakPolarHBondContact O-CA 3.48Å; L244-C276 PolarHBondContact O-N 3.21Å
245C98.4Very high96.3Very high0 Ų038.3 Ų38.30%019%0.19CC..  trans-120.187.1-173.8-49.60000110N249 D278C245-N249 VanDerWaalsContact O-CB 3.28Å; C245-N249 WeakPolarHBondContact O-CB 3.29Å; C245-N249 PolarHBondContact O-N 3.28Å; C245-D278 HydrophobicContact CB-CB 3.85Å
246L98.1Very high96.1Very high0 Ų046.4 Ų46.40%023%0.228CC..Hα-helixtrans-64.8-56.2-167.1-80.864.4000111.4L244 S248 N249 V250 Y258 I263 I275 E290L244-L246 HydrophobicContact CB-CD1 4.34Å; L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 3.25Å; L246-N249 PolarHBondContact O-N 3.45Å; L246-V250 WeakPolarHBondContact O-CG2 3.19Å; L246-V250 PolarHBondContact O-N 3.23Å; L246-Y258 HydrophobicContact CB-CD1 4.29Å; L246-Y258 HydrophobicContact CB-CE1 4.49Å; L246-I263 HydrophobicContact CD1-CD1 4.3Å; L246-I275 HydrophobicContact CD1-CG2 4.44Å; L246-E290 WeakPolarHBondContact CB-OE2 3.34Å; L246-E290 PolarHBondContact N-OE2 3.18Å
247T96.3Very high96Very high6 Ų646 Ų464%0.03723%0.227CC..Hα-helixtrans-65.4-38.8-177.6-62.70000111.5N249 V250 K251 F283 C285 E290 L293T247-N249 PolarHBondContact O-N 2.94Å; T247-V250 PolarHBondContact O-N 3.09Å; T247-K251 HydrophobicContact CG2-CD 3.81Å; T247-K251 HydrophobicContact CG2-CG 3.98Å; T247-K251 VanDerWaalsContact O-CB 3.3Å; T247-K251 WeakPolarHBondContact O-CB 3.45Å; T247-K251 WeakPolarHBondContact O-CG 3.4Å; T247-K251 PolarHBondContact O-N 3.47Å; T247-F283 HydrophobicContact CG2-CB 4.24Å; T247-C285 HydrophobicContact CG2-CB 4Å; T247-E290 WeakPolarHBondContact CB-OE1 3.36Å; T247-E290 PolarHBondContact N-OE2 3.42Å; T247-E290 PolarHBondContact OG1-OE1 2.94Å; T247-E290 PolarHBondContact OG1-OE2 3.1Å; T247-L293 WeakPolarHBondContact OG1-CD1 3.46Å
248S95.1Very high96Very high6 Ų639.3 Ų39.34%0.04220%0.196CC..Hα-helixtrans-55.5-52172.8171.20000111L246 V250 K251 S252 D278 F283L246-S248 VanDerWaalsContact C-N 3.33Å; L246-S248 PolarHBondContact O-N 3.25Å; S248-V250 PolarHBondContact O-N 3.35Å; S248-K251 PolarHBondContact O-N 3.07Å; S248-S252 VanDerWaalsContact O-CB 3.23Å; S248-S252 WeakPolarHBondContact O-CB 3.42Å; S248-S252 PolarHBondContact O-N 3.47Å; S248-S252 PolarHBondContact O-OG 3.08Å; S248-D278 VanDerWaalsContact CB-OD2 3.27Å; S248-D278 WeakPolarHBondContact CB-OD2 3.23Å; S248-D278 PolarHBondContact OG-OD2 3.02Å; S248-F283 VanDerWaalsContact CB-CE2 3.4Å; S248-F283 VanDerWaalsContact OG-CE2 3.28Å; S248-F283 WeakPolarHBondContact OG-CE2 3.41Å
249N95.7Very high96Very high3 Ų340.5 Ų40.52%0.01620%0.196CC..Hα-helixtrans-63.6-35.8-178.7-77.8-174.1000114H217 T219 C245 L246 T247 S252 K253 A254 V255 H261 H262H217-N249 PolarHBondContact ND1-ND2 3.42Å; H217-N249 VanDerWaalsContact ND1-ND2 3.18Å; T219-N249 PolarHBondContact OG1-ND2 2.99Å; T219-N249 PolarHBondContact OG1-OD1 3.06Å; C245-N249 VanDerWaalsContact O-CB 3.28Å; C245-N249 WeakPolarHBondContact O-CB 3.29Å; C245-N249 PolarHBondContact O-N 3.28Å; L246-N249 PolarHBondContact O-N 3.45Å; T247-N249 PolarHBondContact O-N 2.94Å; N249-S252 PolarHBondContact O-OG 2.63Å; N249-K253 PolarHBondContact O-N 3.06Å; N249-A254 PolarHBondContact O-N 3.28Å; N249-V255 HydrophobicContact CB-CB 4.36Å; N249-V255 HydrophobicContact CB-CG2 3.93Å; N249-V255 PolarHBondContact O-N 3.12Å; N249-H261 PolarHBondContact OD1-NE2 3.01Å; N249-H262 PolarHBondContact OD1-CE1 2.95Å; N249-H262 VanDerWaalsContact OD1-CE1 3.28Å
250V94.6Very high95.9Very high27 Ų2736.1 Ų36.116%0.16419%0.185CC..Hα-helixtrans-74.9-47.1175.8173.70000111L246 T247 S248 S252 K253 Y258L246-V250 WeakPolarHBondContact O-CG2 3.19Å; L246-V250 PolarHBondContact O-N 3.23Å; T247-V250 PolarHBondContact O-N 3.09Å; S248-V250 PolarHBondContact O-N 3.35Å; V250-S252 VanDerWaalsContact C-N 3.27Å; V250-S252 PolarHBondContact O-N 2.98Å; V250-K253 PolarHBondContact O-N 3.22Å; V250-Y258 HydrophobicContact CB-CE1 4.15Å; V250-Y258 HydrophobicContact CG1-CE2 4.26Å; V250-Y258 HydrophobicContact CG2-CD1 3.78Å; V250-Y258 HydrophobicContact CG2-CE1 3.86Å; V250-Y258 HydrophobicContact CG2-CG 4.13Å
251K92Very high95.9Very high72 Ų7236 Ų3631%0.31318%0.184SC..Hα-helixtrans-66.6-29.8-179.6-71.1-167.7173.2-172.30112.1W48 G50 T247 S248 K253 F283W48-K251 VanDerWaalsContact CH2-C 3.41Å; W48-K251 HydrophobicContact CH2-CB 4.27Å; W48-K251 WeakPolarHBondContact CH2-O 3.45Å; W48-K251 VanDerWaalsContact CZ2-C 3.41Å; W48-K251 HydrophobicContact CZ2-CB 3.44Å; W48-K251 VanDerWaalsContact CZ2-CB 3.44Å; W48-K251 WeakPolarHBondContact CZ2-O 3.5Å; G50-K251 WeakPolarHBondContact CA-O 3.42Å; G50-K251 PolarHBondContact N-O 2.89Å; T247-K251 HydrophobicContact CG2-CD 3.81Å; T247-K251 HydrophobicContact CG2-CG 3.98Å; T247-K251 VanDerWaalsContact O-CB 3.3Å; T247-K251 WeakPolarHBondContact O-CB 3.45Å; T247-K251 WeakPolarHBondContact O-CG 3.4Å; T247-K251 PolarHBondContact O-N 3.47Å; S248-K251 PolarHBondContact O-N 3.07Å; K251-K253 PolarHBondContact O-N 2.55Å; K251-F283 HydrophobicContact CB-CD1 4.39Å; K251-F283 HydrophobicContact CD-CB 4.24Å; K251-F283 WeakPolarHBondContact CD-O 3.47Å; K251-F283 VanDerWaalsContact CE-O 3.24Å; K251-F283 WeakPolarHBondContact CE-O 3.29Å; K251-F283 PolarHBondContact NZ-O 3.49Å
252S90.2Very high95.8Very high35 Ų3535.6 Ų35.625%0.24518%0.18CC..THydrogen-bonded Turntrans-77-6.5172.572.30000114.5S248 N249 V250 A254S248-S252 VanDerWaalsContact O-CB 3.23Å; S248-S252 WeakPolarHBondContact O-CB 3.42Å; S248-S252 PolarHBondContact O-N 3.47Å; S248-S252 PolarHBondContact O-OG 3.08Å; N249-S252 PolarHBondContact O-OG 2.63Å; V250-S252 VanDerWaalsContact C-N 3.27Å; V250-S252 PolarHBondContact O-N 2.98Å; S252-A254 PolarHBondContact O-N 2.68Å; S252-A254 WeakPolarHBondContact OG-CB 3.29Å; S252-A254 PolarHBondContact OG-N 2.8Å
253K92.1Very high95.8Very high148 Ų14835.6 Ų35.664%0.64318%0.18SC*.THydrogen-bonded Turntrans5919.1-172-58.6172.3172.2166.90113.8N49 N249 V250 K251N49-K253 WeakPolarHBondContact O-CE 3.5Å; N49-K253 PolarHBondContact O-NZ 3.49Å; N249-K253 PolarHBondContact O-N 3.06Å; V250-K253 PolarHBondContact O-N 3.22Å; K251-K253 PolarHBondContact O-N 2.55Å
254A92.9Very high95.7Very high19 Ų1937.9 Ų37.916%0.15719%0.192CC..SBendtrans-68.9-27.1167.900000111.3T219 F220 N249 S252T219-A254 HydrophobicContact CG2-CB 4.12Å; F220-A254 HydrophobicContact CE2-CB 4.03Å; F220-A254 HydrophobicContact CZ-CB 4.23Å; F220-A254 WeakPolarHBondContact CZ-O 3.26Å; N249-A254 PolarHBondContact O-N 3.28Å; S252-A254 PolarHBondContact O-N 2.68Å; S252-A254 WeakPolarHBondContact OG-CB 3.29Å; S252-A254 PolarHBondContact OG-N 2.8Å
255V94.5Very high95.6Very high14 Ų1441.2 Ų41.29%0.08521%0.206CC..SBendtrans-127.2141.1171.7179.80000108.9T219 N249 N257 H261T219-V255 HydrophobicContact CG2-CG2 3.47Å; T219-V255 VanDerWaalsContact CG2-CG2 3.47Å; N249-V255 HydrophobicContact CB-CB 4.36Å; N249-V255 HydrophobicContact CB-CG2 3.93Å; N249-V255 PolarHBondContact O-N 3.12Å; V255-N257 WeakPolarHBondContact CG1-O 3.37Å; V255-H261 HydrophobicContact CG1-CB 4.31Å
256E94.3Very high95.6Very high171 Ų17141.2 Ų41.280%0.79921%0.206SC*.SBendtrans-65.6-43.2-176.6-173.8-175.4172.700112.8
257N96.6Very high95.5Very high47 Ų4742.3 Ų42.325%0.25121%0.211SC..  trans-160.1167.3-17752.956.9000110.8V255 E259 S260 H261V255-N257 WeakPolarHBondContact CG1-O 3.37Å; N257-E259 VanDerWaalsContact C-N 3.28Å; N257-E259 PolarHBondContact O-N 3.26Å; N257-E259 WeakPolarHBondContact OD1-CB 3.28Å; N257-E259 PolarHBondContact OD1-N 2.84Å; N257-S260 PolarHBondContact N-OG 3.38Å; N257-S260 PolarHBondContact O-N 3.18Å; N257-S260 PolarHBondContact O-OG 2.94Å; N257-S260 WeakPolarHBondContact OD1-CB 3.43Å; N257-S260 PolarHBondContact OD1-N 3.37Å; N257-S260 PolarHBondContact OD1-OG 3.45Å; N257-H261 PolarHBondContact O-N 2.83Å
258Y97.2Very high95.5Very high46 Ų4648.2 Ų48.218%0.1824%0.242CC..G310 helixtrans-61.2-34.3-179.1-59-77.2000113.1L246 V250 S260 H261 L293 R297 C298L246-Y258 HydrophobicContact CB-CD1 4.29Å; L246-Y258 HydrophobicContact CB-CE1 4.49Å; V250-Y258 HydrophobicContact CB-CE1 4.15Å; V250-Y258 HydrophobicContact CG1-CE2 4.26Å; V250-Y258 HydrophobicContact CG2-CD1 3.78Å; V250-Y258 HydrophobicContact CG2-CE1 3.86Å; V250-Y258 HydrophobicContact CG2-CG 4.13Å; Y258-S260 VanDerWaalsContact C-N 3.33Å; Y258-S260 PolarHBondContact O-N 3.5Å; Y258-H261 VanDerWaalsContact O-CB 3.22Å; Y258-H261 WeakPolarHBondContact O-CB 3.39Å; Y258-H261 PolarHBondContact O-N 3.39Å; Y258-L293 HydrophobicContact CD1-CD1 4.41Å; Y258-L293 HydrophobicContact CE1-CD1 3.83Å; Y258-L293 HydrophobicContact CE1-CD2 4.48Å; Y258-L293 HydrophobicContact CE2-CD2 4.4Å; Y258-R297 VanDerWaalsContact CB-CB 3.49Å; Y258-R297 HydrophobicContact CG-CB 4.32Å; Y258-R297 HydrophobicContact CG-CG 4.48Å; Y258-C298 PolarHBondContact O-SG 3.23Å
259E97.2Very high95.5Very high77 Ų7753.5 Ų53.536%0.3626%0.264SS..G310 helixtrans-62.6-36.4177.8-72.888.3151.900113.5N257 H261 R297N257-E259 VanDerWaalsContact C-N 3.28Å; N257-E259 PolarHBondContact O-N 3.26Å; N257-E259 WeakPolarHBondContact OD1-CB 3.28Å; N257-E259 PolarHBondContact OD1-N 2.84Å; E259-H261 VanDerWaalsContact C-N 3.3Å; E259-R297 WeakPolarHBondContact CG-O 3.2Å; E259-R297 IonicContact OE1-CZ 2.72Å; E259-R297 IonicContact OE1-NE 3.4Å; E259-R297 IonicContact OE1-NH1 3.67Å; E259-R297 PolarHBondContact OE1-NH1 2.84Å; E259-R297 IonicContact OE1-NH2 3.25Å; E259-R297 PolarHBondContact OE1-NH2 2.93Å; E259-R297 IonicContact OE2-CZ 3.98Å; E259-R297 IonicContact OE2-NE 2.69Å; E259-R297 IonicContact OE2-NH2 3.64Å; E259-R297 PolarHBondContact OE2-NH2 3.04Å
260S95.9Very high95.6Very high60 Ų6062.7 Ų62.742%0.4230%0.304SS..G310 helixtrans-87.12.1-179.757.70000113.6N257 Y258N257-S260 PolarHBondContact N-OG 3.38Å; N257-S260 PolarHBondContact O-N 3.18Å; N257-S260 PolarHBondContact O-OG 2.94Å; N257-S260 WeakPolarHBondContact OD1-CB 3.43Å; N257-S260 PolarHBondContact OD1-N 3.37Å; N257-S260 PolarHBondContact OD1-OG 3.45Å; Y258-S260 VanDerWaalsContact C-N 3.33Å; Y258-S260 PolarHBondContact O-N 3.5Å
261H97.8Very high95.7Very high5 Ų561.8 Ų61.82%0.02330%0.298CS..  trans-61.6139.7-179.5-167.7-90000112N249 V255 N257 Y258 E259 I263N249-H261 PolarHBondContact OD1-NE2 3.01Å; V255-H261 HydrophobicContact CG1-CB 4.31Å; N257-H261 PolarHBondContact O-N 2.83Å; Y258-H261 VanDerWaalsContact O-CB 3.22Å; Y258-H261 WeakPolarHBondContact O-CB 3.39Å; Y258-H261 PolarHBondContact O-N 3.39Å; E259-H261 VanDerWaalsContact C-N 3.3Å; H261-I263 HydrophobicContact CB-CG2 4.2Å; H261-I263 WeakPolarHBondContact ND1-CB 3.37Å; H261-I263 WeakPolarHBondContact ND1-CG2 3.28Å; H261-I263 PolarHBondContact ND1-N 2.77Å; H261-I263 PolarHBondContact O-N 3.03Å
262H97.5Very high96Very high12 Ų1259.8 Ų59.86%0.05629%0.293CS..THydrogen-bonded Turntrans-67.2-2.1-176.361.1-45.6000114.3H217 G218 T219 T222 N249 N264 Y265 W266H217-H262 PolarHBondContact O-NE2 2.73Å; G218-H262 PolarHBondContact O-CD2 3.06Å; T219-H262 WeakPolarHBondContact CA-NE2 2.98Å; T222-H262 HydrophobicContact CG2-CB 3.99Å; N249-H262 PolarHBondContact OD1-CE1 2.95Å; N249-H262 VanDerWaalsContact OD1-CE1 3.28Å; H262-N264 VanDerWaalsContact C-N 3.29Å; H262-N264 PolarHBondContact O-N 3.38Å; H262-Y265 VanDerWaalsContact O-CB 3.28Å; H262-Y265 WeakPolarHBondContact O-CB 3.08Å; H262-Y265 PolarHBondContact O-N 3.03Å; H262-Y265 VanDerWaalsContact O-N 3.1Å; H262-W266 AromaticContact CD2-CD1 3.91Å; H262-W266 AromaticContact CD2-NE1 3.46Å; H262-W266 PolarHBondContact CD2-NE1 2.63Å; H262-W266 PolarHBondContact O-N 3.14Å
263I98.2Very high96.4Very high0 Ų058.1 Ų58.10%028%0.281CS..Hα-helixtrans-54.1-43.9175.4-174.5160.9000112.3L244 L246 H261 Y265 W266 M267 I273 I275 C298 L300 I308L244-I263 HydrophobicContact CD1-CB 3.74Å; L244-I263 HydrophobicContact CD1-CD1 4.16Å; L244-I263 HydrophobicContact CD1-CG1 3.73Å; L246-I263 HydrophobicContact CD1-CD1 4.3Å; H261-I263 HydrophobicContact CB-CG2 4.2Å; H261-I263 WeakPolarHBondContact ND1-CB 3.37Å; H261-I263 WeakPolarHBondContact ND1-CG2 3.28Å; H261-I263 PolarHBondContact ND1-N 2.77Å; H261-I263 PolarHBondContact O-N 3.03Å; I263-Y265 VanDerWaalsContact C-N 3.28Å; I263-Y265 PolarHBondContact O-N 3.2Å; I263-W266 PolarHBondContact O-N 3.47Å; I263-M267 HydrophobicContact CG1-CG 4.25Å; I263-M267 WeakPolarHBondContact O-CB 3.28Å; I263-M267 WeakPolarHBondContact O-CG 3.48Å; I263-M267 PolarHBondContact O-N 2.74Å; I263-I273 HydrophobicContact CD1-CD1 4.06Å; I263-I273 HydrophobicContact CG1-CD1 3.66Å; I263-I275 HydrophobicContact CD1-CD1 4.07Å; I263-I275 HydrophobicContact CD1-CG1 4.03Å; I263-C298 HydrophobicContact CG2-CB 3.75Å; I263-L300 HydrophobicContact CD1-CD1 3.81Å; I263-L300 HydrophobicContact CG1-CD1 4.42Å; I263-I308 HydrophobicContact CD1-CD1 4.48Å
264N96.5Very high96.7Very high47 Ų4751.1 Ų51.125%0.25125%0.251SS..Hα-helixtrans-66.2-31.9-179.9-81.8-41.2000112.4H262 N268 C298H262-N264 VanDerWaalsContact C-N 3.29Å; H262-N264 PolarHBondContact O-N 3.38Å; N264-N268 WeakPolarHBondContact O-CB 3.31Å; N264-N268 PolarHBondContact O-N 2.92Å; N264-N268 PolarHBondContact O-ND2 2.97Å; N264-N268 VanDerWaalsContact O-ND2 3.15Å; N264-C298 PolarHBondContact ND2-O 2.69Å; N264-C298 PolarHBondContact OD1-O 3.32Å
265Y97.5Very high97Very high71 Ų7150.2 Ų50.228%0.27824%0.243SC..Hα-helixtrans-59.8-51.1174-179.6-84.1000110.9T222 R232 H262 I263 N268 K269T222-Y265 HydrophobicContact CG2-CD1 3.57Å; T222-Y265 HydrophobicContact CG2-CD2 4.09Å; T222-Y265 HydrophobicContact CG2-CE1 4.04Å; T222-Y265 HydrophobicContact CG2-CE2 4.47Å; T222-Y265 HydrophobicContact CG2-CG 3.62Å; R232-Y265 VanDerWaalsContact CD-OH 3.26Å; R232-Y265 WeakPolarHBondContact CD-OH 3.34Å; R232-Y265 PolarHBondContact NE-OH 3.25Å; R232-Y265 VanDerWaalsContact NE-OH 3.13Å; H262-Y265 VanDerWaalsContact O-CB 3.28Å; H262-Y265 WeakPolarHBondContact O-CB 3.08Å; H262-Y265 PolarHBondContact O-N 3.03Å; H262-Y265 VanDerWaalsContact O-N 3.1Å; I263-Y265 VanDerWaalsContact C-N 3.28Å; I263-Y265 PolarHBondContact O-N 3.2Å; Y265-N268 PolarHBondContact O-N 2.98Å; Y265-K269 HydrophobicContact CD1-CG 4.41Å; Y265-K269 HydrophobicContact CE1-CG 4.04Å; Y265-K269 WeakPolarHBondContact O-CG 3.27Å; Y265-K269 PolarHBondContact O-N 3Å
266W97.9Very high97.2Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-70.3-37.4-177.2-63.7113.2000112.7L221 T222 R232 V235 L236 L242 H262 I263 K269 K270 H271 I273L221-W266 HydrophobicContact CB-CZ2 3.99Å; L221-W266 HydrophobicContact CD1-CH2 4.49Å; L221-W266 HydrophobicContact CD1-CZ2 4.23Å; T222-W266 HydrophobicContact CG2-CZ2 4.41Å; R232-W266 HydrophobicContact CG-CH2 3.88Å; R232-W266 HydrophobicContact CG-CZ3 4.44Å; V235-W266 HydrophobicContact CG1-CH2 4.16Å; V235-W266 HydrophobicContact CG1-CZ3 4.3Å; L236-W266 HydrophobicContact CD2-CE3 4.33Å; L236-W266 HydrophobicContact CD2-CZ3 3.8Å; L236-W266 HydrophobicContact CG-CZ3 4.2Å; L242-W266 HydrophobicContact CD1-CD2 3.37Å; L242-W266 HydrophobicContact CD1-CE3 3.75Å; L242-W266 HydrophobicContact CD1-CG 3.88Å; L242-W266 HydrophobicContact CD1-CH2 3.77Å; L242-W266 HydrophobicContact CD1-CZ2 3.44Å; L242-W266 VanDerWaalsContact CD1-CZ2 3.44Å; L242-W266 HydrophobicContact CD1-CZ3 3.93Å; H262-W266 AromaticContact CD2-CD1 3.91Å; H262-W266 AromaticContact CD2-NE1 3.46Å; H262-W266 PolarHBondContact CD2-NE1 2.63Å; H262-W266 PolarHBondContact O-N 3.14Å; I263-W266 PolarHBondContact O-N 3.47Å; W266-K269 CarbonylContact O-C 3.35Å; W266-K269 PolarHBondContact O-N 3.04Å; W266-K269 VanDerWaalsContact O-N 3.17Å; W266-K270 PolarHBondContact O-N 3.32Å; W266-H271 HydrophobicContact CB-CB 4.39Å; W266-H271 HydrophobicContact CE3-CB 3.82Å; W266-H271 AromaticContact CE3-CD2 3.73Å; W266-H271 AromaticContact CE3-CG 3.74Å; W266-H271 PolarHBondContact O-N 3.34Å; W266-I273 HydrophobicContact CB-CG2 3.64Å; W266-I273 HydrophobicContact CG-CG2 4.27Å
267M95.8Very high97.4Very high23 Ų2341.4 Ų41.411%0.11320%0.201CC..Hα-helixtrans-61.2-43.9173.2-73.7-59.7-64.300112I263 K269 K270 I273 L300 Q304 I308I263-M267 HydrophobicContact CG1-CG 4.25Å; I263-M267 WeakPolarHBondContact O-CB 3.28Å; I263-M267 WeakPolarHBondContact O-CG 3.48Å; I263-M267 PolarHBondContact O-N 2.74Å; M267-K269 PolarHBondContact O-N 3.26Å; M267-K270 WeakPolarHBondContact O-CA 3.46Å; M267-K270 PolarHBondContact O-N 3.19Å; M267-I273 HydrophobicContact CG-CD1 3.78Å; M267-I273 HydrophobicContact SD-CD1 3.56Å; M267-I273 VanDerWaalsContact SD-CD1 3.56Å; M267-I273 HydrophobicContact SD-CG1 3.95Å; M267-L300 HydrophobicContact CG-CD2 4.3Å; M267-Q304 HydrophobicContact CE-CB 3.6Å; M267-Q304 HydrophobicContact CE-CG 3.57Å; M267-I308 HydrophobicContact CE-CD1 4.4Å; M267-I308 HydrophobicContact CE-CG1 4.35Å; M267-I308 HydrophobicContact SD-CD1 3.92Å; M267-I308 HydrophobicContact SD-CG1 3.86Å
268N95.9Very high97.5Very high129 Ų12939.5 Ų39.569%0.6919%0.191SC*.Hα-helixtrans-63.7-29.2176-74-23.6000112.8N264 Y265 K270N264-N268 WeakPolarHBondContact O-CB 3.31Å; N264-N268 PolarHBondContact O-N 2.92Å; N264-N268 PolarHBondContact O-ND2 2.97Å; N264-N268 VanDerWaalsContact O-ND2 3.15Å; Y265-N268 PolarHBondContact O-N 2.98Å; N268-K270 VanDerWaalsContact C-N 3.27Å
269K96.2Very high97.4Very high117 Ų11737.5 Ų37.551%0.50918%0.183SC..THydrogen-bonded Turntrans-80.4-4.5172.8-65.6-65.9-179-173.50113.6L236 Y265 W266 M267 H271L236-K269 HydrophobicContact CD2-CB 4.31Å; Y265-K269 HydrophobicContact CD1-CG 4.41Å; Y265-K269 HydrophobicContact CE1-CG 4.04Å; Y265-K269 WeakPolarHBondContact O-CG 3.27Å; Y265-K269 PolarHBondContact O-N 3Å; W266-K269 CarbonylContact O-C 3.35Å; W266-K269 PolarHBondContact O-N 3.04Å; W266-K269 VanDerWaalsContact O-N 3.17Å; M267-K269 PolarHBondContact O-N 3.26Å; K269-H271 HydrophobicContact CB-CB 4.35Å; K269-H271 PolarHBondContact O-N 3.17Å
270K96.2Very high97.3Very high197 Ų19735 Ų3586%0.85717%0.171SC*.THydrogen-bonded Turntrans53.934.8-171.5-55-178.1178.3-175.60112W266 M267 N268W266-K270 PolarHBondContact O-N 3.32Å; M267-K270 WeakPolarHBondContact O-CA 3.46Å; M267-K270 PolarHBondContact O-N 3.19Å; N268-K270 VanDerWaalsContact C-N 3.27Å
271H98.1Very high97.1Very high8 Ų833.7 Ų33.74%0.03716%0.162CC..  trans-83.4142.2-179.7-165.675.3000110.1V235 I240 W266 K269 I273V235-H271 PolarHBondContact O-CE1 3.31Å; I240-H271 PolarHBondContact O-CE1 3.48Å; I240-H271 PolarHBondContact O-NE2 3.05Å; W266-H271 HydrophobicContact CB-CB 4.39Å; W266-H271 HydrophobicContact CE3-CB 3.82Å; W266-H271 AromaticContact CE3-CD2 3.73Å; W266-H271 AromaticContact CE3-CG 3.74Å; W266-H271 PolarHBondContact O-N 3.34Å; K269-H271 HydrophobicContact CB-CB 4.35Å; K269-H271 PolarHBondContact O-N 3.17Å; H271-I273 PolarHBondContact O-N 3.5Å
272P98.1Very high96.7Very high30 Ų3033.8 Ų33.820%0.19516%0.163CC..  trans-64.9122.3178.225-33.9000111.2P241 L242P241-P272 VanDerWaalsContact CA-O 3.28Å; P241-P272 WeakPolarHBondContact CA-O 3.46Å; P241-P272 HydrophobicContact CB-CB 4.05Å; P241-P272 HydrophobicContact CB-CG 4.14Å; P241-P272 HydrophobicContact CG-CB 4.12Å; P241-P272 HydrophobicContact CG-CG 3.98Å; L242-P272 PolarHBondContact N-O 2.91Å
273I98.7Very high96.4Very high0 Ų033.5 Ų33.50%016%0.162CC..EExtended strand (participates in β ladder)trans-134.2157.417666163.7000110.5L242 L244 I263 W266 M267 H271 I308 N311L242-I273 HydrophobicContact CB-CG2 4.2Å; L242-I273 CarbonylContact O-C 3.53Å; L242-I273 VanDerWaalsContact O-CA 3.24Å; L242-I273 WeakPolarHBondContact O-CA 3.2Å; L244-I273 HydrophobicContact CD1-CB 4.12Å; L244-I273 HydrophobicContact CD1-CD1 3.69Å; L244-I273 HydrophobicContact CD1-CG2 4.17Å; L244-I273 HydrophobicContact CG-CB 4.28Å; L244-I273 HydrophobicContact CG-CG2 4.47Å; I263-I273 HydrophobicContact CD1-CD1 4.06Å; I263-I273 HydrophobicContact CG1-CD1 3.66Å; W266-I273 HydrophobicContact CB-CG2 3.64Å; W266-I273 HydrophobicContact CG-CG2 4.27Å; M267-I273 HydrophobicContact CG-CD1 3.78Å; M267-I273 HydrophobicContact SD-CD1 3.56Å; M267-I273 VanDerWaalsContact SD-CD1 3.56Å; M267-I273 HydrophobicContact SD-CG1 3.95Å; H271-I273 PolarHBondContact O-N 3.5Å; I273-I308 HydrophobicContact CD1-CD1 3.97Å; I273-I308 HydrophobicContact CD1-CG1 4.1Å; I273-I308 HydrophobicContact CG1-CD1 4.42Å; I273-I308 HydrophobicContact CG1-CG1 4.01Å; I273-N311 WeakPolarHBondContact O-CB 3.48Å
274C98.7Very high96.1Very high0 Ų039.5 Ų39.50%019%0.193CC..EExtended strand (participates in β ladder)trans-127.2158.2162.265.50000110.5L13 L242 E243 L244 C276 S312 M315L13-C274 HydrophobicContact CD1-CB 4.18Å; L242-C274 PolarHBondContact O-N 2.88Å; E243-C274 VanDerWaalsContact CA-SG 3.55Å; L244-C274 WeakPolarHBondContact CB-O 3.42Å; L244-C274 PolarHBondContact N-O 2.94Å; C274-C276 PolarHBondContact SG-SG 3.41Å; C274-S312 WeakPolarHBondContact CB-OG 3.46Å; C274-M315 HydrophobicContact CB-CE 3.78Å; C274-M315 HydrophobicContact CB-SD 4.18Å; C274-M315 WeakPolarHBondContact SG-CE 3.34Å
275I98.8Very high96Very high0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-100.6134.1172.3-65.6168.5000107.4L244 L246 I263 L287 E290 F291 I308L244-I275 WeakPolarHBondContact O-CA 3.48Å; L246-I275 HydrophobicContact CD1-CG2 4.44Å; I263-I275 HydrophobicContact CD1-CD1 4.07Å; I263-I275 HydrophobicContact CD1-CG1 4.03Å; I275-L287 HydrophobicContact CG2-CD1 4.41Å; I275-L287 WeakPolarHBondContact O-CD1 3.34Å; I275-E290 HydrophobicContact CG2-CB 3.42Å; I275-E290 VanDerWaalsContact CG2-CB 3.42Å; I275-E290 HydrophobicContact CG2-CG 4.41Å; I275-F291 HydrophobicContact CB-CE2 4.34Å; I275-F291 HydrophobicContact CB-CZ 4.38Å; I275-F291 HydrophobicContact CD1-CD1 4.3Å; I275-F291 HydrophobicContact CD1-CE1 4.25Å; I275-I308 HydrophobicContact CD1-CD1 4.05Å; I275-I308 HydrophobicContact CD1-CG2 4.24Å; I275-I308 HydrophobicContact CG1-CG2 4.12Å
276C98.9Very high96Very high0 Ų036.2 Ų36.20%018%0.183CC..  trans-140159-173.7-66.90000112.2E12 H14 L244 C274E12-C276 WeakPolarHBondContact OE1-CA 3.48Å; E12-C276 VanDerWaalsContact OE1-CB 3.23Å; E12-C276 WeakPolarHBondContact OE1-CB 3.32Å; E12-C276 PolarHBondContact OE1-SG 3.46Å; H14-C276 HydrophobicContact CB-CB 3.61Å; L244-C276 PolarHBondContact O-N 3.21Å; C274-C276 PolarHBondContact SG-SG 3.41Å
277T98.4Very high96Very high0 Ų036.2 Ų36.20%018%0.183CC..  trans-83.3-28.1179.752.30000114.7E12 F83 D279 L287 E290E12-T277 WeakPolarHBondContact OE2-CB 3.35Å; E12-T277 WeakPolarHBondContact OE2-CG2 3.17Å; E12-T277 PolarHBondContact OE2-N 3.29Å; E12-T277 PolarHBondContact OE2-OG1 3.39Å; F83-T277 HydrophobicContact CE1-CG2 4.1Å; T277-D279 VanDerWaalsContact C-N 3.33Å; T277-D279 PolarHBondContact O-N 2.87Å; T277-L287 HydrophobicContact CG2-CB 3.8Å; T277-L287 HydrophobicContact CG2-CD1 4.22Å; T277-L287 VanDerWaalsContact CG2-N 3.29Å; T277-E290 HydrophobicContact CG2-CG 4.36Å
278D97.9Very high96.1Very high7 Ų735.1 Ų35.14%0.03718%0.178CC..BIsolated β-bridgetrans64.9-84.8-168.3-16418.1000111.6H14 A15 H16 H217 C245 S248 F283H14-D278 IonicContact CD2-OD1 2.88Å; H14-D278 PolarHBondContact CD2-OD1 3.36Å; H14-D278 IonicContact NE2-OD1 3.24Å; H14-D278 PolarHBondContact NE2-OD1 3.46Å; H14-D278 VanDerWaalsContact O-CA 3.25Å; H14-D278 WeakPolarHBondContact O-CA 3.47Å; H14-D278 PolarHBondContact O-N 3.26Å; A15-D278 CarbonylContact C-O 3.54Å; A15-D278 VanDerWaalsContact CA-O 3.31Å; A15-D278 WeakPolarHBondContact CA-O 3.36Å; H16-D278 PolarHBondContact CD2-O 3.13Å; H16-D278 IonicContact CD2-OD1 2.98Å; H16-D278 PolarHBondContact CD2-OD1 3.26Å; H16-D278 PolarHBondContact N-O 2.74Å; H16-D278 IonicContact NE2-OD1 3.72Å; H16-D278 PolarHBondContact NE2-OD1 3.34Å; H217-D278 IonicContact CE1-OD2 3.97Å; H217-D278 PolarHBondContact CE1-OD2 2.98Å; H217-D278 IonicContact NE2-OD2 2.83Å; C245-D278 HydrophobicContact CB-CB 3.85Å; S248-D278 VanDerWaalsContact CB-OD2 3.27Å; S248-D278 WeakPolarHBondContact CB-OD2 3.23Å; S248-D278 PolarHBondContact OG-OD2 3.02Å; D278-F283 HydrophobicContact CB-CD2 4.22Å; D278-F283 HydrophobicContact CB-CE2 3.92Å; D278-F283 VanDerWaalsContact OD2-CE2 3.31Å; D278-F283 WeakPolarHBondContact OD2-CE2 3.15Å
279D95.3Very high96.2Very high5 Ų529.6 Ų29.63%0.02715%0.151CC..SBendtrans-125.583.5178.1-60.3-79.4000110.2H16 G19 F59 T277 S281 L282 F283H16-D279 WeakPolarHBondContact CB-OD1 3.4Å; H16-D279 IonicContact CD2-OD1 3.27Å; H16-D279 IonicContact CD2-OD2 2.67Å; H16-D279 IonicContact CG-OD1 3.61Å; G19-D279 VanDerWaalsContact CA-OD1 3.28Å; G19-D279 WeakPolarHBondContact CA-OD1 3.3Å; G19-D279 CarbonylContact O-C 3.4Å; F59-D279 WeakPolarHBondContact CE1-OD1 3.45Å; F59-D279 HydrophobicContact CZ-CB 4.42Å; F59-D279 VanDerWaalsContact CZ-CG 3.46Å; F59-D279 VanDerWaalsContact CZ-OD1 3.23Å; F59-D279 WeakPolarHBondContact CZ-OD1 3.5Å; F59-D279 WeakPolarHBondContact CZ-OD2 3.48Å; T277-D279 VanDerWaalsContact C-N 3.33Å; T277-D279 PolarHBondContact O-N 2.87Å; D279-S281 VanDerWaalsContact C-N 3.26Å; D279-S281 PolarHBondContact O-N 2.6Å; D279-S281 VanDerWaalsContact O-N 3.1Å; D279-L282 HydrophobicContact CB-CB 3.7Å; D279-L282 HydrophobicContact CB-CD2 4.3Å; D279-L282 PolarHBondContact O-N 2.84Å; D279-F283 HydrophobicContact CB-CD2 3.68Å; D279-F283 HydrophobicContact CB-CE2 3.58Å; D279-F283 HydrophobicContact CB-CZ 4.33Å; D279-F283 WeakPolarHBondContact O-CD2 3.39Å; D279-F283 PolarHBondContact O-N 2.75Å; D279-F283 VanDerWaalsContact OD2-CE2 3.28Å; D279-F283 WeakPolarHBondContact OD2-CE2 3.41Å
280K94.3Very high96.3Very high24 Ų2424.1 Ų24.110%0.10413%0.127CC..THydrogen-bonded Turntrans-44.3-48.6-174.6-177.3-175169.3-75.30113.6E82 F83 D284 C285E82-K280 IonicContact OE2-NZ 2.78Å; E82-K280 PolarHBondContact OE2-NZ 2.95Å; F83-K280 HydrophobicContact CD1-CD 4.44Å; F83-K280 HydrophobicContact CE1-CD 4.02Å; F83-K280 HydrophobicContact CZ-CB 4.2Å; F83-K280 HydrophobicContact CZ-CD 4.04Å; K280-D284 PolarHBondContact O-N 2.9Å; K280-C285 WeakPolarHBondContact CG-O 3.33Å; K280-C285 PolarHBondContact O-N 3.38Å
281S92.4Very high96.3Very high33 Ų3314.7 Ų14.723%0.2319%0.087CC..THydrogen-bonded Turntrans-85.3-35.3-174.2-67.30000112.4G19 S20 I21 S22 D279 D284G19-S281 WeakPolarHBondContact O-CA 3.13Å; G19-S281 WeakPolarHBondContact O-CB 3.49Å; G19-S281 PolarHBondContact O-N 3.43Å; S20-S281 PolarHBondContact O-OG 3.36Å; I21-S281 WeakPolarHBondContact O-CB 3.45Å; S22-S281 VanDerWaalsContact CA-OG 3.22Å; S22-S281 WeakPolarHBondContact CA-OG 3.34Å; S22-S281 PolarHBondContact N-OG 2.67Å; D279-S281 VanDerWaalsContact C-N 3.26Å; D279-S281 PolarHBondContact O-N 2.6Å; D279-S281 VanDerWaalsContact O-N 3.1Å; S281-D284 PolarHBondContact O-N 3.19Å
282L89.6Confident96.3Very high7 Ų716.1 Ų16.14%0.0379%0.093CC..THydrogen-bonded Turntrans-69.4-37.7177.8-174.362000112.3G19 C55 A58 F59 D279G19-L282 PolarHBondContact O-N 3.47Å; C55-L282 VanDerWaalsContact SG-CD2 3.57Å; A58-L282 HydrophobicContact CB-CD1 3.59Å; F59-L282 HydrophobicContact CD2-CD2 4.14Å; F59-L282 HydrophobicContact CE1-CD2 3.97Å; F59-L282 HydrophobicContact CE2-CD2 3.51Å; F59-L282 HydrophobicContact CZ-CD2 3.42Å; F59-L282 VanDerWaalsContact CZ-CD2 3.42Å; D279-L282 HydrophobicContact CB-CB 3.7Å; D279-L282 HydrophobicContact CB-CD2 4.3Å; D279-L282 PolarHBondContact O-N 2.84Å
283F90.9Very high96.3Very high6 Ų616.5 Ų16.53%0.0269%0.093CC..THydrogen-bonded Turntrans-93.68177.3-58.1-45.1000113.4W48 T247 S248 K251 D278 D279 C285W48-F283 AromaticContact CE2-CE1 3.91Å; W48-F283 HydrophobicContact CH2-CD1 4.25Å; W48-F283 AromaticContact CH2-CE1 3.54Å; W48-F283 HydrophobicContact CH2-CE1 3.54Å; W48-F283 HydrophobicContact CH2-CZ 4.42Å; W48-F283 AromaticContact CZ2-CD1 3.43Å; W48-F283 HydrophobicContact CZ2-CD1 3.43Å; W48-F283 VanDerWaalsContact CZ2-CD1 3.43Å; W48-F283 AromaticContact CZ2-CE1 3.15Å; W48-F283 HydrophobicContact CZ2-CE1 3.15Å; W48-F283 HydrophobicContact CZ2-CZ 4.36Å; T247-F283 HydrophobicContact CG2-CB 4.24Å; S248-F283 VanDerWaalsContact CB-CE2 3.4Å; S248-F283 VanDerWaalsContact OG-CE2 3.28Å; S248-F283 WeakPolarHBondContact OG-CE2 3.41Å; K251-F283 HydrophobicContact CB-CD1 4.39Å; K251-F283 HydrophobicContact CD-CB 4.24Å; K251-F283 WeakPolarHBondContact CD-O 3.47Å; K251-F283 VanDerWaalsContact CE-O 3.24Å; K251-F283 WeakPolarHBondContact CE-O 3.29Å; K251-F283 PolarHBondContact NZ-O 3.49Å; D278-F283 HydrophobicContact CB-CD2 4.22Å; D278-F283 HydrophobicContact CB-CE2 3.92Å; D278-F283 VanDerWaalsContact OD2-CE2 3.31Å; D278-F283 WeakPolarHBondContact OD2-CE2 3.15Å; D279-F283 HydrophobicContact CB-CD2 3.68Å; D279-F283 HydrophobicContact CB-CE2 3.58Å; D279-F283 HydrophobicContact CB-CZ 4.33Å; D279-F283 WeakPolarHBondContact O-CD2 3.39Å; D279-F283 PolarHBondContact O-N 2.75Å; D279-F283 VanDerWaalsContact OD2-CE2 3.28Å; D279-F283 WeakPolarHBondContact OD2-CE2 3.41Å; F283-C285 VanDerWaalsContact C-N 3.25Å; F283-C285 PolarHBondContact O-N 2.83Å
284D91.1Very high96.2Very high125 Ų12516.5 Ų16.567%0.6689%0.093SC*.THydrogen-bonded Turntrans41.356.1-178.1-17740.2000111.7K280 S281K280-D284 PolarHBondContact O-N 2.9Å; S281-D284 PolarHBondContact O-N 3.19Å
285C94.5Very high96.1Very high15 Ų1518 Ų1810%0.10110%0.103CC..  trans-128.8176.6179.775.40000110.3T247 K280 F283 E290T247-C285 HydrophobicContact CG2-CB 4Å; K280-C285 WeakPolarHBondContact CG-O 3.33Å; K280-C285 PolarHBondContact O-N 3.38Å; F283-C285 VanDerWaalsContact C-N 3.25Å; F283-C285 PolarHBondContact O-N 2.83Å; C285-E290 WeakPolarHBondContact CB-OE1 3.26Å
286T97.4Very high96Very high35 Ų3522.8 Ų22.822%0.21513%0.125CC..  trans-146.9155.317554.30000106.5M1 E86 S288 G289 E290M1-T286 HydrophobicContact CE-CG2 4.34Å; M1-T286 WeakPolarHBondContact CE-OG1 3.5Å; E86-T286 WeakPolarHBondContact OE1-CB 3.33Å; T286-S288 VanDerWaalsContact C-N 3.26Å; T286-S288 PolarHBondContact O-N 2.79Å; T286-G289 CarbonylContact O-C 3.56Å; T286-G289 WeakPolarHBondContact O-CA 3.49Å; T286-G289 PolarHBondContact O-N 3.44Å; T286-G289 PolarHBondContact OG1-N 3.33Å; T286-E290 WeakPolarHBondContact O-CG 3.41Å; T286-E290 PolarHBondContact O-N 3.39Å
287L98.5Very high95.9Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-64.7-38.4-178.3-170.856.9000110.8K10 E12 E86 V88 I275 T277 G289 E290 F291K10-L287 HydrophobicContact CB-CD2 3.73Å; K10-L287 HydrophobicContact CB-CG 4.39Å; K10-L287 HydrophobicContact CD-CB 4.46Å; K10-L287 HydrophobicContact CD-CD2 4.29Å; K10-L287 HydrophobicContact CD-CG 4.04Å; K10-L287 HydrophobicContact CG-CD2 4.49Å; E12-L287 HydrophobicContact CB-CD2 3.92Å; E86-L287 PolarHBondContact OE1-N 3.13Å; E86-L287 WeakPolarHBondContact OE2-CA 3.45Å; E86-L287 PolarHBondContact OE2-N 3.02Å; V88-L287 HydrophobicContact CG2-CB 4.5Å; V88-L287 HydrophobicContact CG2-CD2 3.91Å; I275-L287 HydrophobicContact CG2-CD1 4.41Å; I275-L287 WeakPolarHBondContact O-CD1 3.34Å; T277-L287 HydrophobicContact CG2-CB 3.8Å; T277-L287 HydrophobicContact CG2-CD1 4.22Å; T277-L287 VanDerWaalsContact CG2-N 3.29Å; L287-G289 PolarHBondContact O-N 2.83Å; L287-E290 HydrophobicContact CD1-CB 4.49Å; L287-E290 PolarHBondContact O-N 3.36Å; L287-E290 VanDerWaalsContact O-N 3.15Å; L287-F291 HydrophobicContact CD1-CD2 4.18Å; L287-F291 HydrophobicContact CD1-CE2 4Å; L287-F291 HydrophobicContact CD2-CE2 4.41Å; L287-F291 HydrophobicContact CG-CD2 4.04Å; L287-F291 HydrophobicContact CG-CE2 3.96Å; L287-F291 VanDerWaalsContact O-CD2 3.3Å; L287-F291 WeakPolarHBondContact O-CD2 3.33Å; L287-F291 PolarHBondContact O-N 3.46Å
288S98.1Very high95.9Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-57.6-37.7171.7-58.10000112.4M1 Y5 K10 E86 T286 Q292M1-S288 WeakPolarHBondContact SD-CB 3.5Å; Y5-S288 WeakPolarHBondContact CB-O 3.49Å; Y5-S288 PolarHBondContact O-OG 3.48Å; K10-S288 WeakPolarHBondContact CE-OG 3.42Å; K10-S288 PolarHBondContact NZ-OG 3.02Å; K10-S288 VanDerWaalsContact NZ-OG 3.16Å; E86-S288 WeakPolarHBondContact OE2-CB 3.32Å; E86-S288 PolarHBondContact OE2-N 3.34Å; E86-S288 PolarHBondContact OE2-OG 3.14Å; T286-S288 VanDerWaalsContact C-N 3.26Å; T286-S288 PolarHBondContact O-N 2.79Å; S288-Q292 WeakPolarHBondContact O-CB 3.13Å; S288-Q292 PolarHBondContact O-N 3.18Å
289G97.7Very high95.8Very high13 Ų1333.8 Ų33.813%0.13417%0.172CC..Hα-helixtrans-66.6-43.9173.100000112.6T286 L287 F291 Q292 L293T286-G289 CarbonylContact O-C 3.56Å; T286-G289 WeakPolarHBondContact O-CA 3.49Å; T286-G289 PolarHBondContact O-N 3.44Å; T286-G289 PolarHBondContact OG1-N 3.33Å; L287-G289 PolarHBondContact O-N 2.83Å; G289-F291 VanDerWaalsContact C-N 3.34Å; G289-F291 PolarHBondContact O-N 3.26Å; G289-Q292 WeakPolarHBondContact O-CB 3.22Å; G289-Q292 PolarHBondContact O-N 2.75Å; G289-L293 WeakPolarHBondContact O-CB 3.35Å; G289-L293 WeakPolarHBondContact O-CG 3.34Å; G289-L293 PolarHBondContact O-N 3.06Å
290E98.4Very high95.8Very high1 Ų133.8 Ų33.81%0.00517%0.172CC..Hα-helixtrans-61.2-43176.3-59.9-57.6101.400111.4L246 T247 I275 T277 C285 T286 L287 L293 S294L246-E290 WeakPolarHBondContact CB-OE2 3.34Å; L246-E290 PolarHBondContact N-OE2 3.18Å; T247-E290 WeakPolarHBondContact CB-OE1 3.36Å; T247-E290 PolarHBondContact N-OE2 3.42Å; T247-E290 PolarHBondContact OG1-OE1 2.94Å; T247-E290 PolarHBondContact OG1-OE2 3.1Å; I275-E290 HydrophobicContact CG2-CB 3.42Å; I275-E290 VanDerWaalsContact CG2-CB 3.42Å; I275-E290 HydrophobicContact CG2-CG 4.41Å; T277-E290 HydrophobicContact CG2-CG 4.36Å; C285-E290 WeakPolarHBondContact CB-OE1 3.26Å; T286-E290 WeakPolarHBondContact O-CG 3.41Å; T286-E290 PolarHBondContact O-N 3.39Å; L287-E290 HydrophobicContact CD1-CB 4.49Å; L287-E290 PolarHBondContact O-N 3.36Å; L287-E290 VanDerWaalsContact O-N 3.15Å; E290-L293 PolarHBondContact O-N 3.37Å; E290-S294 WeakPolarHBondContact O-CB 3.22Å; E290-S294 PolarHBondContact O-N 3.07Å
291F97.8Very high95.7Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-61.9-45.1173.5-87.6-85.8000111.7Y5 L8 K10 I275 L287 G289 L293 S294 V295 L305 L309Y5-F291 HydrophobicContact CD1-CB 4.06Å; L8-F291 HydrophobicContact CD2-CD1 4.02Å; L8-F291 HydrophobicContact CD2-CE1 4.4Å; L8-F291 HydrophobicContact CD2-CG 4.27Å; K10-F291 HydrophobicContact CB-CE2 4.41Å; K10-F291 HydrophobicContact CD-CD2 3.58Å; K10-F291 HydrophobicContact CD-CE2 3.87Å; K10-F291 HydrophobicContact CD-CG 4.34Å; K10-F291 HydrophobicContact CG-CD2 4.05Å; K10-F291 HydrophobicContact CG-CE2 3.86Å; K10-F291 HydrophobicContact CG-CZ 4.46Å; I275-F291 HydrophobicContact CB-CE2 4.34Å; I275-F291 HydrophobicContact CB-CZ 4.38Å; I275-F291 HydrophobicContact CD1-CD1 4.3Å; I275-F291 HydrophobicContact CD1-CE1 4.25Å; L287-F291 HydrophobicContact CD1-CD2 4.18Å; L287-F291 HydrophobicContact CD1-CE2 4Å; L287-F291 HydrophobicContact CD2-CE2 4.41Å; L287-F291 HydrophobicContact CG-CD2 4.04Å; L287-F291 HydrophobicContact CG-CE2 3.96Å; L287-F291 VanDerWaalsContact O-CD2 3.3Å; L287-F291 WeakPolarHBondContact O-CD2 3.33Å; L287-F291 PolarHBondContact O-N 3.46Å; G289-F291 VanDerWaalsContact C-N 3.34Å; G289-F291 PolarHBondContact O-N 3.26Å; F291-L293 PolarHBondContact O-N 2.92Å; F291-S294 PolarHBondContact O-N 2.87Å; F291-S294 PolarHBondContact O-OG 3.45Å; F291-V295 PolarHBondContact O-N 3.37Å; F291-L305 HydrophobicContact CD1-CD2 4.06Å; F291-L309 HydrophobicContact CE1-CD1 4.3Å; F291-L309 HydrophobicContact CE1-CD2 3.96Å; F291-L309 HydrophobicContact CE1-CG 3.87Å; F291-L309 HydrophobicContact CE2-CD2 4.33Å; F291-L309 HydrophobicContact CZ-CD2 3.49Å; F291-L309 VanDerWaalsContact CZ-CD2 3.49Å; F291-L309 HydrophobicContact CZ-CG 3.9Å
292Q97.2Very high95.7Very high38 Ų3839 Ų3918%0.17820%0.198CC..Hα-helixtrans-58.7-48.2176.5-178.2166.9-2.900111.8Y5 S288 G289 S294 V295 E296Y5-Q292 HydrophobicContact CD2-CB 3.42Å; Y5-Q292 VanDerWaalsContact CD2-CB 3.42Å; Y5-Q292 HydrophobicContact CD2-CG 3.7Å; Y5-Q292 HydrophobicContact CE2-CB 3.62Å; Y5-Q292 HydrophobicContact CE2-CG 3.53Å; Y5-Q292 HydrophobicContact CG-CB 4Å; S288-Q292 WeakPolarHBondContact O-CB 3.13Å; S288-Q292 PolarHBondContact O-N 3.18Å; G289-Q292 WeakPolarHBondContact O-CB 3.22Å; G289-Q292 PolarHBondContact O-N 2.75Å; Q292-S294 VanDerWaalsContact C-N 3.32Å; Q292-S294 PolarHBondContact O-N 2.6Å; Q292-V295 PolarHBondContact O-N 2.94Å; Q292-E296 HydrophobicContact CG-CG 4.32Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.23Å; Q292-E296 PolarHBondContact NE2-OE1 3.11Å; Q292-E296 PolarHBondContact NE2-OE2 2.67Å; Q292-E296 WeakPolarHBondContact O-CG 3.28Å; Q292-E296 PolarHBondContact O-N 3.24Å
293L97.2Very high95.9Very high38 Ų3845.9 Ų45.920%0.19923%0.23CC..Hα-helixtrans-61.4-39.9178.2-73.5166.9000111.9T247 Y258 G289 E290 F291 V295 E296 R297 C298T247-L293 WeakPolarHBondContact OG1-CD1 3.46Å; Y258-L293 HydrophobicContact CD1-CD1 4.41Å; Y258-L293 HydrophobicContact CE1-CD1 3.83Å; Y258-L293 HydrophobicContact CE1-CD2 4.48Å; Y258-L293 HydrophobicContact CE2-CD2 4.4Å; G289-L293 WeakPolarHBondContact O-CB 3.35Å; G289-L293 WeakPolarHBondContact O-CG 3.34Å; G289-L293 PolarHBondContact O-N 3.06Å; E290-L293 PolarHBondContact O-N 3.37Å; F291-L293 PolarHBondContact O-N 2.92Å; L293-V295 PolarHBondContact O-N 3.02Å; L293-E296 PolarHBondContact O-N 3.33Å; L293-R297 HydrophobicContact CD2-CG 3.88Å; L293-R297 WeakPolarHBondContact O-CA 3.34Å; L293-R297 VanDerWaalsContact O-CB 3.26Å; L293-R297 WeakPolarHBondContact O-CB 3.43Å; L293-R297 PolarHBondContact O-N 2.87Å; L293-C298 PolarHBondContact O-N 2.98Å
294S97.6Very high96.1Very high0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-60.8-33.7178.778.60000112.8E290 F291 Q292 C298 H299 L300E290-S294 WeakPolarHBondContact O-CB 3.22Å; E290-S294 PolarHBondContact O-N 3.07Å; F291-S294 PolarHBondContact O-N 2.87Å; F291-S294 PolarHBondContact O-OG 3.45Å; Q292-S294 VanDerWaalsContact C-N 3.32Å; Q292-S294 PolarHBondContact O-N 2.6Å; S294-C298 CarbonylContact O-C 3.56Å; S294-C298 WeakPolarHBondContact O-CA 3.34Å; S294-C298 WeakPolarHBondContact O-CB 3.28Å; S294-C298 PolarHBondContact O-N 2.93Å; S294-H299 PolarHBondContact O-N 3.2Å; S294-L300 WeakPolarHBondContact O-CG 3.46Å; S294-L300 PolarHBondContact O-N 3.32Å; S294-L300 VanDerWaalsContact O-N 3.11Å
295V96.6Very high96.3Very high32 Ų3241.8 Ų41.819%0.19421%0.207CC..Hα-helixtrans-78.3-53.2175.3176.70000110.9Y5 F291 Q292 L293 R297 H299 L305Y5-V295 HydrophobicContact CE1-CG2 4.02Å; Y5-V295 WeakPolarHBondContact OH-CB 3.26Å; Y5-V295 WeakPolarHBondContact OH-CG1 3.44Å; Y5-V295 WeakPolarHBondContact OH-CG2 3.24Å; F291-V295 PolarHBondContact O-N 3.37Å; Q292-V295 PolarHBondContact O-N 2.94Å; L293-V295 PolarHBondContact O-N 3.02Å; V295-R297 PolarHBondContact O-N 3.36Å; V295-H299 VanDerWaalsContact O-CA 3.29Å; V295-H299 WeakPolarHBondContact O-CA 3.43Å; V295-H299 PolarHBondContact O-N 3.44Å; V295-L305 HydrophobicContact CG2-CD1 3.52Å; V295-L305 HydrophobicContact CG2-CD2 3.89Å; V295-L305 HydrophobicContact CG2-CG 4Å
296E96.6Very high96.4Very high100 Ų10043.3 Ų43.347%0.46721%0.212SC..Hα-helixtrans-71.5-31-170.5-70.2176.9179.400112.8Q292 L293Q292-E296 HydrophobicContact CG-CG 4.32Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.23Å; Q292-E296 PolarHBondContact NE2-OE1 3.11Å; Q292-E296 PolarHBondContact NE2-OE2 2.67Å; Q292-E296 WeakPolarHBondContact O-CG 3.28Å; Q292-E296 PolarHBondContact O-N 3.24Å; L293-E296 PolarHBondContact O-N 3.33Å
297R97.6Very high96.4Very high96 Ų9646.1 Ų46.136%0.36222%0.222SC..THydrogen-bonded Turntrans-117.5-33.1-170.9-49.2-66.3-72.5148.31.2113.2Y258 E259 L293 V295Y258-R297 VanDerWaalsContact CB-CB 3.49Å; Y258-R297 HydrophobicContact CG-CB 4.32Å; Y258-R297 HydrophobicContact CG-CG 4.48Å; E259-R297 WeakPolarHBondContact CG-O 3.2Å; E259-R297 IonicContact OE1-CZ 2.72Å; E259-R297 IonicContact OE1-NE 3.4Å; E259-R297 IonicContact OE1-NH1 3.67Å; E259-R297 PolarHBondContact OE1-NH1 2.84Å; E259-R297 IonicContact OE1-NH2 3.25Å; E259-R297 PolarHBondContact OE1-NH2 2.93Å; E259-R297 IonicContact OE2-CZ 3.98Å; E259-R297 IonicContact OE2-NE 2.69Å; E259-R297 IonicContact OE2-NH2 3.64Å; E259-R297 PolarHBondContact OE2-NH2 3.04Å; L293-R297 HydrophobicContact CD2-CG 3.88Å; L293-R297 WeakPolarHBondContact O-CA 3.34Å; L293-R297 VanDerWaalsContact O-CB 3.26Å; L293-R297 WeakPolarHBondContact O-CB 3.43Å; L293-R297 PolarHBondContact O-N 2.87Å; V295-R297 PolarHBondContact O-N 3.36Å
298C97.2Very high96.4Very high1 Ų146.1 Ų46.11%0.00722%0.222CC..THydrogen-bonded Turntrans-960174.7-46.80000112.8Y258 I263 N264 L293 S294 L300Y258-C298 PolarHBondContact O-SG 3.23Å; I263-C298 HydrophobicContact CG2-CB 3.75Å; N264-C298 PolarHBondContact ND2-O 2.69Å; N264-C298 PolarHBondContact OD1-O 3.32Å; L293-C298 PolarHBondContact O-N 2.98Å; S294-C298 CarbonylContact O-C 3.56Å; S294-C298 WeakPolarHBondContact O-CA 3.34Å; S294-C298 WeakPolarHBondContact O-CB 3.28Å; S294-C298 PolarHBondContact O-N 2.93Å; C298-L300 VanDerWaalsContact C-N 3.27Å; C298-L300 PolarHBondContact O-N 3.29Å
299H95.8Very high96.4Very high141 Ų14146.1 Ų46.165%0.65322%0.222SC*.  trans59.630.8177.9-54.2-59000114.6S294 V295S294-H299 PolarHBondContact O-N 3.2Å; V295-H299 VanDerWaalsContact O-CA 3.29Å; V295-H299 WeakPolarHBondContact O-CA 3.43Å; V295-H299 PolarHBondContact O-N 3.44Å
300L95.8Very high96.4Very high5 Ų546.2 Ų46.23%0.02622%0.22CC..  trans-68.8144.6170.8-60.7-167.7000111.1I263 M267 S294 C298 Q304 L305 I308I263-L300 HydrophobicContact CD1-CD1 3.81Å; I263-L300 HydrophobicContact CG1-CD1 4.42Å; M267-L300 HydrophobicContact CG-CD2 4.3Å; S294-L300 WeakPolarHBondContact O-CG 3.46Å; S294-L300 PolarHBondContact O-N 3.32Å; S294-L300 VanDerWaalsContact O-N 3.11Å; C298-L300 VanDerWaalsContact C-N 3.27Å; C298-L300 PolarHBondContact O-N 3.29Å; L300-Q304 VanDerWaalsContact CA-OE1 3.31Å; L300-Q304 HydrophobicContact CB-CB 4.4Å; L300-L305 HydrophobicContact CB-CD2 4.22Å; L300-L305 HydrophobicContact CD1-CD2 4.2Å; L300-I308 HydrophobicContact CD1-CD1 3.53Å
301N92.9Very high96.4Very high78 Ų7847.3 Ų47.342%0.41723%0.226SC..  trans-100.8171.2173.57042.7000112.2E303 Q304 L305N301-E303 VanDerWaalsContact C-N 3.29Å; N301-E303 PolarHBondContact O-N 2.86Å; N301-E303 WeakPolarHBondContact OD1-CA 3.02Å; N301-E303 WeakPolarHBondContact OD1-CB 3.18Å; N301-E303 PolarHBondContact OD1-N 3.4Å; N301-Q304 PolarHBondContact ND2-OE1 3.21Å; N301-Q304 WeakPolarHBondContact O-CB 3.46Å; N301-Q304 PolarHBondContact O-N 2.82Å; N301-Q304 VanDerWaalsContact O-N 3.11Å; N301-Q304 WeakPolarHBondContact OD1-CG 3.12Å; N301-Q304 PolarHBondContact OD1-N 3.47Å; N301-L305 WeakPolarHBondContact O-CG 3.44Å; N301-L305 PolarHBondContact O-N 3.34Å
302N91.5Very high96.4Very high87 Ų8747.3 Ų47.347%0.46523%0.226SC..Hα-helixtrans-60.1-33.6-177.6-70.5-13.6000113.9L305 F306 F334N302-L305 PolarHBondContact O-N 3.27Å; N302-F306 WeakPolarHBondContact O-CB 3.44Å; N302-F306 PolarHBondContact O-N 3.14Å; N302-F334 WeakPolarHBondContact O-CE1 3.48Å
303E93.3Very high96.5Very high153 Ų15345.5 Ų45.572%0.71522%0.217SC*.Hα-helixtrans-66.5-42.4176.3-175.6-175.9177.900110.8N301 F306 Q307N301-E303 VanDerWaalsContact C-N 3.29Å; N301-E303 PolarHBondContact O-N 2.86Å; N301-E303 WeakPolarHBondContact OD1-CA 3.02Å; N301-E303 WeakPolarHBondContact OD1-CB 3.18Å; N301-E303 PolarHBondContact OD1-N 3.4Å; E303-F306 PolarHBondContact O-N 3.15Å; E303-Q307 PolarHBondContact O-N 3.04Å
304Q95.6Very high96.6Very high44 Ų4448.6 Ų48.621%0.20623%0.234CC..Hα-helixtrans-64.1-42.3175.1-71.1173.9-51.100111.6M267 L300 N301 F306 Q307 I308M267-Q304 HydrophobicContact CE-CB 3.6Å; M267-Q304 HydrophobicContact CE-CG 3.57Å; L300-Q304 VanDerWaalsContact CA-OE1 3.31Å; L300-Q304 HydrophobicContact CB-CB 4.4Å; N301-Q304 PolarHBondContact ND2-OE1 3.21Å; N301-Q304 WeakPolarHBondContact O-CB 3.46Å; N301-Q304 PolarHBondContact O-N 2.82Å; N301-Q304 VanDerWaalsContact O-N 3.11Å; N301-Q304 WeakPolarHBondContact OD1-CG 3.12Å; N301-Q304 PolarHBondContact OD1-N 3.47Å; Q304-F306 PolarHBondContact O-N 3.02Å; Q304-Q307 PolarHBondContact O-N 3.29Å; Q304-I308 VanDerWaalsContact O-CG1 3.27Å; Q304-I308 WeakPolarHBondContact O-CG1 3.49Å; Q304-I308 PolarHBondContact O-N 3.45Å
305L96Very high96.6Very high0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-60.7-45.1174.5-64-173.3000112.1F4 Y5 F291 V295 L300 N301 N302 Q307 I308 L309 F334F4-L305 HydrophobicContact CE1-CD1 4.47Å; Y5-L305 HydrophobicContact CE1-CD1 4.21Å; F291-L305 HydrophobicContact CD1-CD2 4.06Å; V295-L305 HydrophobicContact CG2-CD1 3.52Å; V295-L305 HydrophobicContact CG2-CD2 3.89Å; V295-L305 HydrophobicContact CG2-CG 4Å; L300-L305 HydrophobicContact CB-CD2 4.22Å; L300-L305 HydrophobicContact CD1-CD2 4.2Å; N301-L305 WeakPolarHBondContact O-CG 3.44Å; N301-L305 PolarHBondContact O-N 3.34Å; N302-L305 PolarHBondContact O-N 3.27Å; L305-Q307 VanDerWaalsContact C-N 3.32Å; L305-Q307 PolarHBondContact O-N 3.21Å; L305-I308 PolarHBondContact O-N 2.93Å; L305-L309 WeakPolarHBondContact O-CG 3.46Å; L305-L309 PolarHBondContact O-N 3.06Å; L305-F334 HydrophobicContact CB-CZ 4.27Å
306F96.2Very high96.7Very high48 Ų4847.7 Ų47.721%0.21123%0.228CC..Hα-helixtrans-58.9-46.1176176.7-103000110.8N302 E303 Q304 I308 L309 M310 I330 R331 F334N302-F306 WeakPolarHBondContact O-CB 3.44Å; N302-F306 PolarHBondContact O-N 3.14Å; E303-F306 PolarHBondContact O-N 3.15Å; Q304-F306 PolarHBondContact O-N 3.02Å; F306-I308 PolarHBondContact O-N 3.24Å; F306-L309 PolarHBondContact O-N 3.38Å; F306-M310 HydrophobicContact CD1-CG 4.2Å; F306-M310 HydrophobicContact CD2-CG 4.32Å; F306-M310 HydrophobicContact CE1-CG 3.76Å; F306-M310 HydrophobicContact CE2-CG 3.9Å; F306-M310 HydrophobicContact CE2-SD 4.08Å; F306-M310 HydrophobicContact CG-CG 4.47Å; F306-M310 HydrophobicContact CZ-CG 3.59Å; F306-M310 HydrophobicContact CZ-SD 3.92Å; F306-M310 WeakPolarHBondContact O-CB 3.32Å; F306-M310 VanDerWaalsContact O-CG 3.27Å; F306-M310 WeakPolarHBondContact O-CG 3.34Å; F306-M310 PolarHBondContact O-N 3.18Å; F306-I330 HydrophobicContact CD2-CG2 4.13Å; F306-I330 HydrophobicContact CE2-CG2 4.1Å; F306-R331 HydrophobicContact CE2-CG 3.87Å; F306-R331 HydrophobicContact CZ-CG 3.82Å; F306-F334 HydrophobicContact CB-CD1 3.99Å; F306-F334 HydrophobicContact CB-CD2 4.49Å; F306-F334 HydrophobicContact CB-CE1 3.75Å; F306-F334 HydrophobicContact CB-CE2 4.25Å; F306-F334 HydrophobicContact CB-CG 4.35Å; F306-F334 HydrophobicContact CB-CZ 3.88Å; F306-F334 HydrophobicContact CD2-CB 4.13Å; F306-F334 HydrophobicContact CD2-CD1 4.21Å; F306-F334 AromaticContact CD2-CD2 3.61Å; F306-F334 HydrophobicContact CD2-CD2 3.61Å; F306-F334 AromaticContact CD2-CE2 3.98Å; F306-F334 HydrophobicContact CD2-CE2 3.98Å; F306-F334 AromaticContact CD2-CG 3.71Å; F306-F334 HydrophobicContact CD2-CG 3.71Å; F306-F334 HydrophobicContact CD2-CZ 4.44Å; F306-F334 HydrophobicContact CE2-CD2 4.41Å; F306-F334 HydrophobicContact CG-CD1 4.48Å; F306-F334 HydrophobicContact CG-CG 4.41Å
307Q96.9Very high96.8Very high93 Ų9344 Ų4444%0.43521%0.21SC..Hα-helixtrans-62.3-42177.9-175.560.156.800112.3E303 Q304 L305 M310 N311E303-Q307 PolarHBondContact O-N 3.04Å; Q304-Q307 PolarHBondContact O-N 3.29Å; L305-Q307 VanDerWaalsContact C-N 3.32Å; L305-Q307 PolarHBondContact O-N 3.21Å; Q307-M310 PolarHBondContact O-N 3.44Å; Q307-N311 PolarHBondContact NE2-OD1 3.25Å; Q307-N311 WeakPolarHBondContact O-CB 3.34Å; Q307-N311 PolarHBondContact O-N 3.47Å; Q307-N311 PolarHBondContact O-ND2 3.31Å; Q307-N311 PolarHBondContact O-OD1 3.18Å
308I98.2Very high96.8Very high0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-60.3-48176-71.5171.7000110.2I263 M267 I273 I275 L300 Q304 L305 F306 M310 N311 S312I263-I308 HydrophobicContact CD1-CD1 4.48Å; M267-I308 HydrophobicContact CE-CD1 4.4Å; M267-I308 HydrophobicContact CE-CG1 4.35Å; M267-I308 HydrophobicContact SD-CD1 3.92Å; M267-I308 HydrophobicContact SD-CG1 3.86Å; I273-I308 HydrophobicContact CD1-CD1 3.97Å; I273-I308 HydrophobicContact CD1-CG1 4.1Å; I273-I308 HydrophobicContact CG1-CD1 4.42Å; I273-I308 HydrophobicContact CG1-CG1 4.01Å; I275-I308 HydrophobicContact CD1-CD1 4.05Å; I275-I308 HydrophobicContact CD1-CG2 4.24Å; I275-I308 HydrophobicContact CG1-CG2 4.12Å; L300-I308 HydrophobicContact CD1-CD1 3.53Å; Q304-I308 VanDerWaalsContact O-CG1 3.27Å; Q304-I308 WeakPolarHBondContact O-CG1 3.49Å; Q304-I308 PolarHBondContact O-N 3.45Å; L305-I308 PolarHBondContact O-N 2.93Å; F306-I308 PolarHBondContact O-N 3.24Å; I308-M310 VanDerWaalsContact C-N 3.34Å; I308-M310 PolarHBondContact O-N 3.36Å; I308-N311 WeakPolarHBondContact O-CB 3.33Å; I308-N311 PolarHBondContact O-N 2.85Å; I308-N311 VanDerWaalsContact O-N 3.14Å; I308-S312 PolarHBondContact O-N 2.88Å; I308-S312 PolarHBondContact O-OG 3.42Å
309L98.2Very high96.7Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-62-41.2178.1-77.7167.5000112.7L8 K10 F291 L305 F306 N311 S312 V313 I330 F334L8-L309 HydrophobicContact CD1-CD1 3.77Å; L8-L309 HydrophobicContact CD2-CD1 4.01Å; L8-L309 HydrophobicContact CG-CD1 4.02Å; K10-L309 HydrophobicContact CG-CD2 4.41Å; F291-L309 HydrophobicContact CE1-CD1 4.3Å; F291-L309 HydrophobicContact CE1-CD2 3.96Å; F291-L309 HydrophobicContact CE1-CG 3.87Å; F291-L309 HydrophobicContact CE2-CD2 4.33Å; F291-L309 HydrophobicContact CZ-CD2 3.49Å; F291-L309 VanDerWaalsContact CZ-CD2 3.49Å; F291-L309 HydrophobicContact CZ-CG 3.9Å; L305-L309 WeakPolarHBondContact O-CG 3.46Å; L305-L309 PolarHBondContact O-N 3.06Å; F306-L309 PolarHBondContact O-N 3.38Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-S312 WeakPolarHBondContact O-CB 3.36Å; L309-S312 PolarHBondContact O-N 3.1Å; L309-V313 WeakPolarHBondContact O-CG2 3.5Å; L309-V313 PolarHBondContact O-N 2.86Å; L309-I330 HydrophobicContact CB-CD1 4.23Å; L309-I330 HydrophobicContact CB-CG2 4Å; L309-I330 HydrophobicContact CD1-CG2 4.22Å; L309-F334 HydrophobicContact CD1-CE2 3.62Å; L309-F334 HydrophobicContact CD1-CZ 4Å
310M98.2Very high96.8Very high16 Ų1642.2 Ų42.28%0.07922%0.216CC..Hα-helixtrans-65.9-35.6174.8-70.2-58.1-48.700112.1F306 Q307 I308 V313 N314 I330 R331F306-M310 HydrophobicContact CD1-CG 4.2Å; F306-M310 HydrophobicContact CD2-CG 4.32Å; F306-M310 HydrophobicContact CE1-CG 3.76Å; F306-M310 HydrophobicContact CE2-CG 3.9Å; F306-M310 HydrophobicContact CE2-SD 4.08Å; F306-M310 HydrophobicContact CG-CG 4.47Å; F306-M310 HydrophobicContact CZ-CG 3.59Å; F306-M310 HydrophobicContact CZ-SD 3.92Å; F306-M310 WeakPolarHBondContact O-CB 3.32Å; F306-M310 VanDerWaalsContact O-CG 3.27Å; F306-M310 WeakPolarHBondContact O-CG 3.34Å; F306-M310 PolarHBondContact O-N 3.18Å; Q307-M310 PolarHBondContact O-N 3.44Å; I308-M310 VanDerWaalsContact C-N 3.34Å; I308-M310 PolarHBondContact O-N 3.36Å; M310-V313 PolarHBondContact O-N 3.01Å; M310-N314 PolarHBondContact O-N 3.15Å; M310-N314 PolarHBondContact O-ND2 3Å; M310-I330 HydrophobicContact SD-CG2 4.37Å; M310-R331 HydrophobicContact SD-CG 4.48Å
311N98.2Very high96.9Very high23 Ų2346.8 Ų46.812%0.12324%0.24CC..Hα-helixtrans-63.3-47.8170.8-68.6-19000110.5I273 Q307 I308 L309 V313 N314 M315I273-N311 WeakPolarHBondContact O-CB 3.48Å; Q307-N311 PolarHBondContact NE2-OD1 3.25Å; Q307-N311 WeakPolarHBondContact O-CB 3.34Å; Q307-N311 PolarHBondContact O-N 3.47Å; Q307-N311 PolarHBondContact O-ND2 3.31Å; Q307-N311 PolarHBondContact O-OD1 3.18Å; I308-N311 WeakPolarHBondContact O-CB 3.33Å; I308-N311 PolarHBondContact O-N 2.85Å; I308-N311 VanDerWaalsContact O-N 3.14Å; L309-N311 VanDerWaalsContact C-N 3.33Å; N311-V313 VanDerWaalsContact C-N 3.26Å; N311-V313 PolarHBondContact O-N 2.86Å; N311-N314 WeakPolarHBondContact O-CB 3.3Å; N311-N314 PolarHBondContact O-N 3.48Å; N311-M315 HydrophobicContact CB-SD 4.14Å; N311-M315 WeakPolarHBondContact O-CB 3.34Å; N311-M315 WeakPolarHBondContact O-CG 3.46Å; N311-M315 PolarHBondContact O-N 3.35Å
312S98.7Very high97.2Very high0 Ų043.9 Ų43.90%023%0.225CC..Hα-helixtrans-55.1-41.3177.6-52.50000112.1C274 I308 L309 N314 M315 A316C274-S312 WeakPolarHBondContact CB-OG 3.46Å; I308-S312 PolarHBondContact O-N 2.88Å; I308-S312 PolarHBondContact O-OG 3.42Å; L309-S312 WeakPolarHBondContact O-CB 3.36Å; L309-S312 PolarHBondContact O-N 3.1Å; S312-N314 PolarHBondContact O-N 3.13Å; S312-M315 PolarHBondContact O-N 3.23Å; S312-A316 PolarHBondContact O-N 3.21Å
313V98.7Very high97.5Very high1 Ų141.1 Ų41.11%0.00621%0.209CC..Hα-helixtrans-59.8-45.1174.4172.20000111.8I11 L309 M310 N311 M315 A316 K323 L326 I330I11-V313 HydrophobicContact CD1-CG2 4.18Å; I11-V313 HydrophobicContact CG1-CG2 3.99Å; L309-V313 WeakPolarHBondContact O-CG2 3.5Å; L309-V313 PolarHBondContact O-N 2.86Å; M310-V313 PolarHBondContact O-N 3.01Å; N311-V313 VanDerWaalsContact C-N 3.26Å; N311-V313 PolarHBondContact O-N 2.86Å; V313-M315 VanDerWaalsContact C-N 3.3Å; V313-M315 PolarHBondContact O-N 3.33Å; V313-A316 PolarHBondContact O-N 3.27Å; V313-K323 HydrophobicContact CG1-CB 3.78Å; V313-K323 HydrophobicContact CG1-CG 4.17Å; V313-K323 VanDerWaalsContact CG1-O 3.31Å; V313-K323 WeakPolarHBondContact CG1-O 3.49Å; V313-K323 WeakPolarHBondContact O-CD 3.45Å; V313-K323 WeakPolarHBondContact O-CG 3.4Å; V313-L326 HydrophobicContact CG1-CB 4.24Å; V313-L326 HydrophobicContact CG2-CB 3.82Å; V313-I330 HydrophobicContact CG2-CD1 3.49Å; V313-I330 VanDerWaalsContact CG2-CD1 3.49Å
314N98.3Very high97.8Very high103 Ų10340.7 Ų40.755%0.55121%0.205SC*.Hα-helixtrans-68.6-32179.9-68.3-34.4000112.6M310 N311 S312 K323M310-N314 PolarHBondContact O-N 3.15Å; M310-N314 PolarHBondContact O-ND2 3Å; N311-N314 WeakPolarHBondContact O-CB 3.3Å; N311-N314 PolarHBondContact O-N 3.48Å; S312-N314 PolarHBondContact O-N 3.13Å; N314-K323 PolarHBondContact O-NZ 2.7Å
315M98.4Very high97.9Very high11 Ų1142.1 Ų42.15%0.05421%0.211CC..Hα-helixtrans-74.6-22.9179.3-71.516760.100113.2L13 R214 P241 C274 N311 S312 V313L13-M315 HydrophobicContact CD1-CB 3.58Å; L13-M315 HydrophobicContact CD1-CE 4.12Å; R214-M315 PolarHBondContact NH1-O 2.87Å; P241-M315 HydrophobicContact CB-CE 3.38Å; P241-M315 HydrophobicContact CB-CG 3.56Å; P241-M315 HydrophobicContact CB-SD 3.54Å; P241-M315 VanDerWaalsContact CB-SD 3.54Å; P241-M315 HydrophobicContact CG-CG 3.76Å; P241-M315 HydrophobicContact CG-SD 4.34Å; C274-M315 HydrophobicContact CB-CE 3.78Å; C274-M315 HydrophobicContact CB-SD 4.18Å; C274-M315 WeakPolarHBondContact SG-CE 3.34Å; N311-M315 HydrophobicContact CB-SD 4.14Å; N311-M315 WeakPolarHBondContact O-CB 3.34Å; N311-M315 WeakPolarHBondContact O-CG 3.46Å; N311-M315 PolarHBondContact O-N 3.35Å; S312-M315 PolarHBondContact O-N 3.23Å; V313-M315 VanDerWaalsContact C-N 3.3Å; V313-M315 PolarHBondContact O-N 3.33Å
316A98.7Very high98Very high2 Ų242.1 Ų42.12%0.01721%0.211CC..SBendtrans-63.7136.5-17700000112.5L13 L90 E92 S312 V313 C318 K323L13-A316 HydrophobicContact CD2-CB 3.99Å; L90-A316 HydrophobicContact CD1-CB 4.11Å; L90-A316 HydrophobicContact CD2-CB 4.1Å; E92-A316 WeakPolarHBondContact OE1-CA 3.29Å; S312-A316 PolarHBondContact O-N 3.21Å; V313-A316 PolarHBondContact O-N 3.27Å; A316-C318 PolarHBondContact O-N 3.43Å; A316-K323 WeakPolarHBondContact O-CE 3.41Å
317F98.3Very high98.1Very high21 Ų2141.1 Ų41.19%0.09221%0.21CC..SBendtrans-79.440.7175-59.4-19.5000111.9E92 I130 K188 D213 R214E92-F317 PolarHBondContact OE1-N 3.03Å; I130-F317 HydrophobicContact CD1-CD2 3.77Å; I130-F317 HydrophobicContact CD1-CE2 3.99Å; I130-F317 HydrophobicContact CG1-CD2 4.43Å; K188-F317 HydrophobicContact CB-CB 4.39Å; K188-F317 HydrophobicContact CB-CD1 3.72Å; K188-F317 HydrophobicContact CB-CD2 3.41Å; K188-F317 VanDerWaalsContact CB-CD2 3.41Å; K188-F317 HydrophobicContact CB-CE1 3.73Å; K188-F317 HydrophobicContact CB-CE2 3.41Å; K188-F317 VanDerWaalsContact CB-CE2 3.41Å; K188-F317 HydrophobicContact CB-CG 3.58Å; K188-F317 HydrophobicContact CB-CZ 3.58Å; K188-F317 HydrophobicContact CD-CD1 4.15Å; K188-F317 HydrophobicContact CD-CE1 4.23Å; K188-F317 HydrophobicContact CG-CB 4.09Å; K188-F317 HydrophobicContact CG-CD1 3.62Å; K188-F317 HydrophobicContact CG-CD2 4.04Å; K188-F317 HydrophobicContact CG-CE1 4Å; K188-F317 HydrophobicContact CG-CE2 4.38Å; K188-F317 HydrophobicContact CG-CG 3.65Å; K188-F317 HydrophobicContact CG-CZ 4.36Å; D213-F317 HydrophobicContact CB-CE1 3.68Å; D213-F317 HydrophobicContact CB-CZ 3.77Å; R214-F317 HydrophobicContact CG-CE1 4.1Å; R214-F317 HydrophobicContact CG-CZ 4.06Å; R214-F317 VanDerWaalsContact CZ-CZ 3.4Å
318C97Very high98.2Very high18 Ų1841.7 Ų41.712%0.12221%0.213CC..SBendtrans-112.3172175.267.50000111.6L90 I128 A316 V322L90-C318 HydrophobicContact CD1-CB 3.98Å; I128-C318 HydrophobicContact CD1-CB 4.12Å; I128-C318 HydrophobicContact CG1-CB 4.34Å; A316-C318 PolarHBondContact O-N 3.43Å; C318-V322 HydrophobicContact CB-CB 4.12Å; C318-V322 HydrophobicContact CB-CG1 3.97Å
319S96.7Very high98.1Very high66 Ų6645.2 Ų45.246%0.46223%0.228SC..  trans-67.4154.517972.90000112.6N321 V322 K323S319-N321 PolarHBondContact O-N 3.26Å; S319-N321 VanDerWaalsContact O-N 3.16Å; S319-V322 PolarHBondContact O-N 3.24Å; S319-V322 WeakPolarHBondContact OG-CG2 3.47Å; S319-V322 PolarHBondContact OG-N 3.09Å; S319-K323 PolarHBondContact O-N 3.02Å
320E97.6Very high98.1Very high118 Ų11845.2 Ų45.255%0.55123%0.228SC*.Hα-helixtrans-58.8-28.8176.1-67-56.7128.900113.2K323 K324E320-K323 WeakPolarHBondContact OE1-CD 3.49Å; E320-K323 IonicContact OE1-NZ 3.19Å; E320-K323 PolarHBondContact OE1-NZ 3.21Å; E320-K324 WeakPolarHBondContact O-CG 3.4Å; E320-K324 PolarHBondContact O-N 3.46Å; E320-K324 VanDerWaalsContact O-N 3.07Å
321N97.8Very high98Very high101 Ų10150.4 Ų50.454%0.5425%0.247SC..Hα-helixtrans-66.6-44.7173.8-175.353.3000111.7S319 K324 Q325S319-N321 PolarHBondContact O-N 3.26Å; S319-N321 VanDerWaalsContact O-N 3.16Å; N321-K324 PolarHBondContact O-N 3.04Å; N321-Q325 PolarHBondContact ND2-NE2 3.04Å; N321-Q325 WeakPolarHBondContact O-CG 3.27Å; N321-Q325 PolarHBondContact O-N 3.41Å
322V98Very high97.9Very high16 Ų1654.3 Ų54.310%0.09726%0.264CS..Hα-helixtrans-62.2-47.7175.8173.40000109.5L90 Y126 C318 S319 K324 Q325 L326L90-V322 HydrophobicContact CD1-CG1 4.19Å; Y126-V322 HydrophobicContact CD1-CG1 4.03Å; Y126-V322 HydrophobicContact CD1-CG2 4.07Å; Y126-V322 HydrophobicContact CD2-CG1 3.81Å; Y126-V322 HydrophobicContact CE1-CG1 4.24Å; Y126-V322 HydrophobicContact CE1-CG2 3.78Å; Y126-V322 HydrophobicContact CE2-CG1 4Å; Y126-V322 HydrophobicContact CG-CG1 3.81Å; C318-V322 HydrophobicContact CB-CB 4.12Å; C318-V322 HydrophobicContact CB-CG1 3.97Å; S319-V322 PolarHBondContact O-N 3.24Å; S319-V322 WeakPolarHBondContact OG-CG2 3.47Å; S319-V322 PolarHBondContact OG-N 3.09Å; V322-K324 VanDerWaalsContact C-N 3.3Å; V322-K324 PolarHBondContact O-N 3.35Å; V322-Q325 WeakPolarHBondContact O-CB 3.41Å; V322-Q325 PolarHBondContact O-N 2.9Å; V322-L326 HydrophobicContact CG1-CD1 3.92Å; V322-L326 HydrophobicContact CG1-CG 4.13Å; V322-L326 WeakPolarHBondContact O-CG 3.17Å; V322-L326 PolarHBondContact O-N 3.04Å
323K98.7Very high97.7Very high30 Ų3055.7 Ų55.713%0.1327%0.27CS..Hα-helixtrans-53.3-43.8176.5-66.4-175.6-173.1168.80113.2V313 N314 A316 S319 E320 Q325 L326 S327V313-K323 HydrophobicContact CG1-CB 3.78Å; V313-K323 HydrophobicContact CG1-CG 4.17Å; V313-K323 VanDerWaalsContact CG1-O 3.31Å; V313-K323 WeakPolarHBondContact CG1-O 3.49Å; V313-K323 WeakPolarHBondContact O-CD 3.45Å; V313-K323 WeakPolarHBondContact O-CG 3.4Å; N314-K323 PolarHBondContact O-NZ 2.7Å; A316-K323 WeakPolarHBondContact O-CE 3.41Å; S319-K323 PolarHBondContact O-N 3.02Å; E320-K323 WeakPolarHBondContact OE1-CD 3.49Å; E320-K323 IonicContact OE1-NZ 3.19Å; E320-K323 PolarHBondContact OE1-NZ 3.21Å; K323-Q325 PolarHBondContact O-N 2.88Å; K323-L326 PolarHBondContact O-N 3Å; K323-S327 WeakPolarHBondContact O-CB 3.42Å; K323-S327 PolarHBondContact O-N 2.88Å; K323-S327 PolarHBondContact O-OG 2.76Å
324K98.4Very high97.5Very high144 Ų14456.5 Ų56.563%0.62627%0.273SS*.Hα-helixtrans-58.5-47.1176-75.3173.8-176.9-179.90111.8E320 N321 V322 S327 H328E320-K324 WeakPolarHBondContact O-CG 3.4Å; E320-K324 PolarHBondContact O-N 3.46Å; E320-K324 VanDerWaalsContact O-N 3.07Å; N321-K324 PolarHBondContact O-N 3.04Å; V322-K324 VanDerWaalsContact C-N 3.3Å; V322-K324 PolarHBondContact O-N 3.35Å; K324-S327 PolarHBondContact O-N 3.41Å; K324-S327 PolarHBondContact O-OG 3Å; K324-H328 WeakPolarHBondContact O-CB 3.38Å; K324-H328 PolarHBondContact O-N 3.01Å
325Q98.2Very high97.1Very high73 Ų7355.6 Ų55.634%0.34127%0.268SS..Hα-helixtrans-63.2-43.9178.7-64.4179.418.800112.4Y126 N321 V322 K323 H328 K329Y126-Q325 PolarHBondContact OH-OE1 3.43Å; N321-Q325 PolarHBondContact ND2-NE2 3.04Å; N321-Q325 WeakPolarHBondContact O-CG 3.27Å; N321-Q325 PolarHBondContact O-N 3.41Å; V322-Q325 WeakPolarHBondContact O-CB 3.41Å; V322-Q325 PolarHBondContact O-N 2.9Å; K323-Q325 PolarHBondContact O-N 2.88Å; Q325-H328 PolarHBondContact O-N 3.26Å; Q325-K329 PolarHBondContact O-N 3.34Å; Q325-K329 VanDerWaalsContact O-N 3.12Å
326L98.5Very high96.6Very high1 Ų157.8 Ų57.81%0.00529%0.285CS..Hα-helixtrans-61.2-48.3176.9-58.2172.8000110.9I11 I89 L90 Y126 V313 V322 K323 H328 K329 I330I11-L326 HydrophobicContact CD1-CB 4.22Å; I11-L326 HydrophobicContact CD1-CD1 3.9Å; I11-L326 HydrophobicContact CD1-CD2 4.12Å; I11-L326 HydrophobicContact CD1-CG 4.29Å; I89-L326 HydrophobicContact CB-CD2 4.24Å; I89-L326 HydrophobicContact CD1-CB 4.24Å; I89-L326 HydrophobicContact CD1-CD2 3.63Å; I89-L326 HydrophobicContact CG1-CD2 3.86Å; L90-L326 HydrophobicContact CB-CD1 3.91Å; L90-L326 HydrophobicContact CB-CD2 4.07Å; L90-L326 HydrophobicContact CD1-CD1 3.48Å; L90-L326 VanDerWaalsContact CD1-CD1 3.48Å; L90-L326 HydrophobicContact CG-CD1 4.31Å; Y126-L326 HydrophobicContact CD2-CD2 3.95Å; Y126-L326 HydrophobicContact CE2-CD2 4.38Å; V313-L326 HydrophobicContact CG1-CB 4.24Å; V313-L326 HydrophobicContact CG2-CB 3.82Å; V322-L326 HydrophobicContact CG1-CD1 3.92Å; V322-L326 HydrophobicContact CG1-CG 4.13Å; V322-L326 WeakPolarHBondContact O-CG 3.17Å; V322-L326 PolarHBondContact O-N 3.04Å; K323-L326 PolarHBondContact O-N 3Å; L326-H328 PolarHBondContact O-N 3.08Å; L326-K329 PolarHBondContact O-N 2.69Å; L326-I330 WeakPolarHBondContact O-CG1 3.3Å; L326-I330 PolarHBondContact O-N 3.32Å
327S98.4Very high95.6Very high26 Ų2661 Ų6118%0.18230%0.298CS..Hα-helixtrans-59.9-35.4179.373.40000112.7K323 K324 R331K323-S327 WeakPolarHBondContact O-CB 3.42Å; K323-S327 PolarHBondContact O-N 2.88Å; K323-S327 PolarHBondContact O-OG 2.76Å; K324-S327 PolarHBondContact O-N 3.41Å; K324-S327 PolarHBondContact O-OG 3Å; S327-R331 WeakPolarHBondContact O-CB 3.43Å; S327-R331 VanDerWaalsContact O-CG 3.26Å; S327-R331 WeakPolarHBondContact O-CG 3.4Å; S327-R331 PolarHBondContact O-N 2.57Å
328H98.1Very high93.9Very high105 Ų10564.5 Ų64.549%0.48632%0.317SS..Hα-helixtrans-66.9-51.4177-179.358.4000111.1K324 Q325 L326 I330 R331 E332K324-H328 WeakPolarHBondContact O-CB 3.38Å; K324-H328 PolarHBondContact O-N 3.01Å; Q325-H328 PolarHBondContact O-N 3.26Å; L326-H328 PolarHBondContact O-N 3.08Å; H328-I330 VanDerWaalsContact C-N 3.27Å; H328-I330 PolarHBondContact O-N 2.98Å; H328-R331 PolarHBondContact O-N 3.42Å; H328-R331 VanDerWaalsContact O-N 3.13Å; H328-E332 IonicContact CD2-OE2 3.84Å; H328-E332 VanDerWaalsContact CE1-CD 3.46Å; H328-E332 IonicContact CE1-OE1 3.34Å; H328-E332 PolarHBondContact CE1-OE1 3.07Å; H328-E332 IonicContact NE2-OE1 3.1Å; H328-E332 PolarHBondContact NE2-OE1 3.37Å; H328-E332 VanDerWaalsContact NE2-OE1 3.1Å; H328-E332 IonicContact NE2-OE2 3.69Å; H328-E332 WeakPolarHBondContact O-CG 3.43Å; H328-E332 PolarHBondContact O-N 3.03Å
329K97.5Very high91.8Very high74 Ų7469.7 Ų69.732%0.32234%0.338SS..Hα-helixtrans-54.9-42.5177-70.6-176.8177.6-175.50112.3I89 Q325 L326 Y333I89-K329 HydrophobicContact CD1-CB 4.14Å; I89-K329 HydrophobicContact CD1-CD 4.1Å; I89-K329 HydrophobicContact CG2-CD 4.45Å; Q325-K329 PolarHBondContact O-N 3.34Å; Q325-K329 VanDerWaalsContact O-N 3.12Å; L326-K329 PolarHBondContact O-N 2.69Å; K329-Y333 PolarHBondContact O-N 2.85Å; K329-Y333 VanDerWaalsContact O-N 3.11Å
330I97.5Very high89.9Confident0 Ų070.2 Ų70.20%034%0.335CS..Hα-helixtrans-66-47.7178.4-65.1165.4000110.5P9 I11 I89 F306 L309 M310 V313 L326 H328 E332 Y333 F334P9-I330 HydrophobicContact CB-CG1 4.23Å; I11-I330 HydrophobicContact CD1-CD1 4.42Å; I11-I330 HydrophobicContact CG1-CD1 4.19Å; I89-I330 HydrophobicContact CD1-CG1 4.4Å; F306-I330 HydrophobicContact CD2-CG2 4.13Å; F306-I330 HydrophobicContact CE2-CG2 4.1Å; L309-I330 HydrophobicContact CB-CD1 4.23Å; L309-I330 HydrophobicContact CB-CG2 4Å; L309-I330 HydrophobicContact CD1-CG2 4.22Å; M310-I330 HydrophobicContact SD-CG2 4.37Å; V313-I330 HydrophobicContact CG2-CD1 3.49Å; V313-I330 VanDerWaalsContact CG2-CD1 3.49Å; L326-I330 WeakPolarHBondContact O-CG1 3.3Å; L326-I330 PolarHBondContact O-N 3.32Å; H328-I330 VanDerWaalsContact C-N 3.27Å; H328-I330 PolarHBondContact O-N 2.98Å; I330-E332 PolarHBondContact O-N 2.58Å; I330-Y333 PolarHBondContact O-N 3.37Å; I330-F334 HydrophobicContact CG2-CD2 4.11Å; I330-F334 HydrophobicContact CG2-CE2 4.15Å; I330-F334 WeakPolarHBondContact O-CD2 3.39Å; I330-F334 PolarHBondContact O-N 3.19Å; I330-F334 VanDerWaalsContact O-N 3.09Å
331R96.8Very high87.8Confident125 Ų12569.4 Ų69.447%0.47234%0.335SS..Hα-helixtrans-60.8-43.9177.6-75.1174.2-171.9-85.61.6112.5F306 M310 S327 H328 Y333 F334 N335F306-R331 HydrophobicContact CE2-CG 3.87Å; F306-R331 HydrophobicContact CZ-CG 3.82Å; M310-R331 HydrophobicContact SD-CG 4.48Å; S327-R331 WeakPolarHBondContact O-CB 3.43Å; S327-R331 VanDerWaalsContact O-CG 3.26Å; S327-R331 WeakPolarHBondContact O-CG 3.4Å; S327-R331 PolarHBondContact O-N 2.57Å; H328-R331 PolarHBondContact O-N 3.42Å; H328-R331 VanDerWaalsContact O-N 3.13Å; R331-Y333 VanDerWaalsContact C-N 3.32Å; R331-Y333 PolarHBondContact O-N 3.39Å; R331-F334 PolarHBondContact O-N 3.38Å; R331-N335 WeakPolarHBondContact O-CB 3.41Å; R331-N335 PolarHBondContact O-N 3.37Å; R331-N335 PolarHBondContact O-ND2 3.26Å
332E96Very high85.1Confident105 Ų10569.7 Ų69.749%0.49134%0.336SS..Hα-helixtrans-59.1-44.5177.2-73.1-172.8138.300111.8H328 I330 N335 S336H328-E332 IonicContact CD2-OE2 3.84Å; H328-E332 VanDerWaalsContact CE1-CD 3.46Å; H328-E332 IonicContact CE1-OE1 3.34Å; H328-E332 PolarHBondContact CE1-OE1 3.07Å; H328-E332 IonicContact NE2-OE1 3.1Å; H328-E332 PolarHBondContact NE2-OE1 3.37Å; H328-E332 VanDerWaalsContact NE2-OE1 3.1Å; H328-E332 IonicContact NE2-OE2 3.69Å; H328-E332 WeakPolarHBondContact O-CG 3.43Å; H328-E332 PolarHBondContact O-N 3.03Å; I330-E332 PolarHBondContact O-N 2.58Å; E332-N335 PolarHBondContact O-N 3.42Å; E332-S336 PolarHBondContact O-N 3.34Å; E332-S336 VanDerWaalsContact O-N 3.09Å
333Y94.8Very high82.8Confident30 Ų3075.2 Ų75.212%0.11837%0.365CS..Hα-helixtrans-60.6-50177-172.6-93.1000112F4 N7 L8 P9 K329 I330 R331 N335 S336 F337F4-Y333 HydrophobicContact CD2-CE1 4.06Å; F4-Y333 AromaticContact CE2-CE1 3.67Å; F4-Y333 HydrophobicContact CE2-CE1 3.67Å; F4-Y333 HydrophobicContact CZ-CE1 4.21Å; F4-Y333 PolarHBondContact O-OH 3.13Å; N7-Y333 HydrophobicContact CB-CE2 4Å; N7-Y333 WeakPolarHBondContact O-CE2 3.37Å; L8-Y333 HydrophobicContact CB-CE1 4.1Å; L8-Y333 HydrophobicContact CD1-CD1 3.54Å; L8-Y333 HydrophobicContact CD1-CE1 3.51Å; L8-Y333 HydrophobicContact CG-CE1 4.43Å; L8-Y333 PolarHBondContact N-OH 3.02Å; P9-Y333 HydrophobicContact CG-CD2 4.23Å; P9-Y333 HydrophobicContact CG-CG 4.13Å; K329-Y333 PolarHBondContact O-N 2.85Å; K329-Y333 VanDerWaalsContact O-N 3.11Å; I330-Y333 PolarHBondContact O-N 3.37Å; R331-Y333 VanDerWaalsContact C-N 3.32Å; R331-Y333 PolarHBondContact O-N 3.39Å; Y333-N335 VanDerWaalsContact C-N 3.3Å; Y333-N335 PolarHBondContact O-N 3.01Å; Y333-S336 PolarHBondContact O-N 3.21Å; Y333-S336 PolarHBondContact O-OG 2.95Å; Y333-F337 HydrophobicContact CD1-CD2 4.06Å; Y333-F337 HydrophobicContact CD1-CE2 4.06Å; Y333-F337 HydrophobicContact CD2-CE2 4.14Å; Y333-F337 AromaticContact CE1-CD2 3.72Å; Y333-F337 HydrophobicContact CE1-CD2 3.72Å; Y333-F337 AromaticContact CE1-CE2 3.43Å; Y333-F337 HydrophobicContact CE1-CE2 3.43Å; Y333-F337 VanDerWaalsContact CE1-CE2 3.43Å; Y333-F337 HydrophobicContact CE1-CZ 4.31Å; Y333-F337 HydrophobicContact CE2-CD2 4.44Å; Y333-F337 AromaticContact CE2-CE2 3.55Å; Y333-F337 HydrophobicContact CE2-CE2 3.55Å; Y333-F337 HydrophobicContact CE2-CZ 4.32Å; Y333-F337 HydrophobicContact CG-CE2 4.38Å; Y333-F337 AromaticContact CZ-CD2 3.94Å; Y333-F337 AromaticContact CZ-CE2 3.14Å; Y333-F337 AromaticContact CZ-CZ 3.79Å; Y333-F337 WeakPolarHBondContact O-CD2 3.11Å; Y333-F337 PolarHBondContact O-N 2.67Å; Y333-F337 VanDerWaalsContact OH-CE2 3.27Å; Y333-F337 WeakPolarHBondContact OH-CE2 3.44Å; Y333-F337 WeakPolarHBondContact OH-CZ 3.49Å
334F92.9Very high80.4Confident17 Ų1781.6 Ų81.68%0.07539%0.393CS..Hα-helixtrans-64.7-34.9179.2-84.9-96.2000112.8L8 N302 L305 F306 L309 I330 R331 S336 F337 I338L8-F334 HydrophobicContact CD1-CD2 4.43Å; L8-F334 HydrophobicContact CD1-CE2 3.6Å; L8-F334 HydrophobicContact CD1-CZ 4.02Å; N302-F334 WeakPolarHBondContact O-CE1 3.48Å; L305-F334 HydrophobicContact CB-CZ 4.27Å; F306-F334 HydrophobicContact CB-CD1 3.99Å; F306-F334 HydrophobicContact CB-CD2 4.49Å; F306-F334 HydrophobicContact CB-CE1 3.75Å; F306-F334 HydrophobicContact CB-CE2 4.25Å; F306-F334 HydrophobicContact CB-CG 4.35Å; F306-F334 HydrophobicContact CB-CZ 3.88Å; F306-F334 HydrophobicContact CD2-CB 4.13Å; F306-F334 HydrophobicContact CD2-CD1 4.21Å; F306-F334 AromaticContact CD2-CD2 3.61Å; F306-F334 HydrophobicContact CD2-CD2 3.61Å; F306-F334 AromaticContact CD2-CE2 3.98Å; F306-F334 HydrophobicContact CD2-CE2 3.98Å; F306-F334 AromaticContact CD2-CG 3.71Å; F306-F334 HydrophobicContact CD2-CG 3.71Å; F306-F334 HydrophobicContact CD2-CZ 4.44Å; F306-F334 HydrophobicContact CE2-CD2 4.41Å; F306-F334 HydrophobicContact CG-CD1 4.48Å; F306-F334 HydrophobicContact CG-CG 4.41Å; L309-F334 HydrophobicContact CD1-CE2 3.62Å; L309-F334 HydrophobicContact CD1-CZ 4Å; I330-F334 HydrophobicContact CG2-CD2 4.11Å; I330-F334 HydrophobicContact CG2-CE2 4.15Å; I330-F334 WeakPolarHBondContact O-CD2 3.39Å; I330-F334 PolarHBondContact O-N 3.19Å; I330-F334 VanDerWaalsContact O-N 3.09Å; R331-F334 PolarHBondContact O-N 3.38Å; F334-S336 PolarHBondContact O-N 3.06Å; F334-F337 PolarHBondContact O-N 3.14Å; F334-I338 WeakPolarHBondContact O-CG1 3.46Å; F334-I338 PolarHBondContact O-N 2.92Å
335N90.7Very high77.5Confident84 Ų8485.9 Ų85.945%0.44941%0.411SS..Hα-helixtrans-61.7-42.7175.3-71.8-20000111.5R331 E332 Y333 F337 I338 F339R331-N335 WeakPolarHBondContact O-CB 3.41Å; R331-N335 PolarHBondContact O-N 3.37Å; R331-N335 PolarHBondContact O-ND2 3.26Å; E332-N335 PolarHBondContact O-N 3.42Å; Y333-N335 VanDerWaalsContact C-N 3.3Å; Y333-N335 PolarHBondContact O-N 3.01Å; N335-F337 VanDerWaalsContact C-N 3.27Å; N335-F337 PolarHBondContact O-N 3.49Å; N335-I338 PolarHBondContact O-N 3.43Å; N335-F339 HydrophobicContact CB-CE2 4.43Å; N335-F339 WeakPolarHBondContact O-CD2 3.33Å; N335-F339 PolarHBondContact O-N 3.44Å; N335-F339 VanDerWaalsContact O-N 3.16Å
336S87.9Confident76.4Confident58 Ų5886.5 Ų86.541%0.40642%0.415SS..Hα-helixtrans-62.8-32.2-179.766.30000113.3E332 Y333 F334 D340E332-S336 PolarHBondContact O-N 3.34Å; E332-S336 VanDerWaalsContact O-N 3.09Å; Y333-S336 PolarHBondContact O-N 3.21Å; Y333-S336 PolarHBondContact O-OG 2.95Å; F334-S336 PolarHBondContact O-N 3.06Å; S336-D340 PolarHBondContact O-N 3.14Å
337F77.8Confident75.3Confident69 Ų6991 Ų9130%0.30344%0.436SS..Hα-helixtrans-77.5-34.4176.9-79.3-85.9000113.6F4 Y333 F334 N335 F339 D340 D341F4-F337 AromaticContact CD2-CD1 3.82Å; F4-F337 HydrophobicContact CD2-CD1 3.82Å; F4-F337 HydrophobicContact CD2-CD2 4.18Å; F4-F337 AromaticContact CD2-CE1 3.56Å; F4-F337 HydrophobicContact CD2-CE1 3.56Å; F4-F337 AromaticContact CD2-CE2 4Å; F4-F337 HydrophobicContact CD2-CE2 4Å; F4-F337 HydrophobicContact CD2-CG 4.13Å; F4-F337 AromaticContact CD2-CZ 3.66Å; F4-F337 HydrophobicContact CD2-CZ 3.66Å; F4-F337 AromaticContact CE2-CD1 3.97Å; F4-F337 HydrophobicContact CE2-CD1 3.97Å; F4-F337 AromaticContact CE2-CD2 3.89Å; F4-F337 HydrophobicContact CE2-CD2 3.89Å; F4-F337 HydrophobicContact CE2-CE1 4.14Å; F4-F337 HydrophobicContact CE2-CE2 4.11Å; F4-F337 AromaticContact CE2-CG 3.85Å; F4-F337 HydrophobicContact CE2-CG 3.85Å; F4-F337 HydrophobicContact CE2-CZ 4.21Å; Y333-F337 HydrophobicContact CD1-CD2 4.06Å; Y333-F337 HydrophobicContact CD1-CE2 4.06Å; Y333-F337 HydrophobicContact CD2-CE2 4.14Å; Y333-F337 AromaticContact CE1-CD2 3.72Å; Y333-F337 HydrophobicContact CE1-CD2 3.72Å; Y333-F337 AromaticContact CE1-CE2 3.43Å; Y333-F337 HydrophobicContact CE1-CE2 3.43Å; Y333-F337 VanDerWaalsContact CE1-CE2 3.43Å; Y333-F337 HydrophobicContact CE1-CZ 4.31Å; Y333-F337 HydrophobicContact CE2-CD2 4.44Å; Y333-F337 AromaticContact CE2-CE2 3.55Å; Y333-F337 HydrophobicContact CE2-CE2 3.55Å; Y333-F337 HydrophobicContact CE2-CZ 4.32Å; Y333-F337 HydrophobicContact CG-CE2 4.38Å; Y333-F337 AromaticContact CZ-CD2 3.94Å; Y333-F337 AromaticContact CZ-CE2 3.14Å; Y333-F337 AromaticContact CZ-CZ 3.79Å; Y333-F337 WeakPolarHBondContact O-CD2 3.11Å; Y333-F337 PolarHBondContact O-N 2.67Å; Y333-F337 VanDerWaalsContact OH-CE2 3.27Å; Y333-F337 WeakPolarHBondContact OH-CE2 3.44Å; Y333-F337 WeakPolarHBondContact OH-CZ 3.49Å; F334-F337 PolarHBondContact O-N 3.14Å; N335-F337 VanDerWaalsContact C-N 3.27Å; N335-F337 PolarHBondContact O-N 3.49Å; F337-F339 VanDerWaalsContact C-N 3.27Å; F337-F339 PolarHBondContact O-N 2.95Å; F337-D340 PolarHBondContact O-N 3.24Å; F337-D341 PolarHBondContact O-N 2.98Å
338I63.4Low74Confident95 Ų9594.6 Ų94.649%0.48745%0.45SS..Hα-helixtrans-62.6-39.9173.9-66.9167.9000110F334 N335 L342F334-I338 WeakPolarHBondContact O-CG1 3.46Å; F334-I338 PolarHBondContact O-N 2.92Å; N335-I338 PolarHBondContact O-N 3.43Å; I338-L342 HydrophobicContact CG2-CD1 4.09Å; I338-L342 WeakPolarHBondContact O-CG 3.4Å; I338-L342 PolarHBondContact O-N 3.29Å; I338-L342 VanDerWaalsContact O-N 3.13Å
339F51.6Low72.6Confident127 Ų12794 Ų9456%0.55745%0.448SS*.Hα-helixtrans-67.8-35.6175.4-72.5-66000112.8N335 F337 L342 N343N335-F339 HydrophobicContact CB-CE2 4.43Å; N335-F339 WeakPolarHBondContact O-CD2 3.33Å; N335-F339 PolarHBondContact O-N 3.44Å; N335-F339 VanDerWaalsContact O-N 3.16Å; F337-F339 VanDerWaalsContact C-N 3.27Å; F337-F339 PolarHBondContact O-N 2.95Å; F339-L342 PolarHBondContact O-N 3.19Å; F339-N343 WeakPolarHBondContact O-CB 3.42Å; F339-N343 VanDerWaalsContact O-CG 3.22Å; F339-N343 PolarHBondContact O-N 3.33Å; F339-N343 PolarHBondContact O-ND2 3.34Å; F339-N343 VanDerWaalsContact O-ND2 3.11Å
340D58Low71Confident76 Ų7695.3 Ų95.341%0.40646%0.456SS..Hα-helixtrans-68.1-37176.2-82.4-7.8000113.1S336 F337 N343 K344S336-D340 PolarHBondContact O-N 3.14Å; F337-D340 PolarHBondContact O-N 3.24Å; D340-N343 PolarHBondContact O-N 3.33Å; D340-K344 WeakPolarHBondContact O-CB 3.35Å; D340-K344 VanDerWaalsContact O-CG 3.29Å; D340-K344 WeakPolarHBondContact O-CG 3.41Å; D340-K344 PolarHBondContact O-N 2.79Å
341D53Low69.2Low101 Ų101101.6 Ų101.654%0.5449%0.487SS..Hα-helixtrans-72-30175.2-91.8-7000112.6F337F337-D341 PolarHBondContact O-N 2.98Å
342L41.4Very low67.3Low108 Ų10899.9 Ų99.957%0.56549%0.488SS*.Hα-helixtrans-74.2-28.8172.8-72.4170.2000112.7I338 F339I338-L342 HydrophobicContact CG2-CD1 4.09Å; I338-L342 WeakPolarHBondContact O-CG 3.4Å; I338-L342 PolarHBondContact O-N 3.29Å; I338-L342 VanDerWaalsContact O-N 3.13Å; F339-L342 PolarHBondContact O-N 3.19Å
343N48.3Very low65.1Low131 Ų13199.5 Ų99.570%0.70149%0.487SS*.SBendtrans-85.9-6.3176.8-70.3-30.4000113.7F339 D340F339-N343 WeakPolarHBondContact O-CB 3.42Å; F339-N343 VanDerWaalsContact O-CG 3.22Å; F339-N343 PolarHBondContact O-N 3.33Å; F339-N343 PolarHBondContact O-ND2 3.34Å; F339-N343 VanDerWaalsContact O-ND2 3.11Å; D340-N343 PolarHBondContact O-N 3.33Å
344K48.4Very low62.6Low164 Ų164105.3 Ų105.371%0.71352%0.518SS*.  trans-106.1-0.4176.9-73.7176.2-174.3169.70113.9D340D340-K344 WeakPolarHBondContact O-CB 3.35Å; D340-K344 VanDerWaalsContact O-CG 3.29Å; D340-K344 WeakPolarHBondContact O-CG 3.41Å; D340-K344 PolarHBondContact O-N 2.79Å
345K37.7Very low59.8Low234 Ų234113.4 Ų113.4100%1.01756%0.559SS**  trans-102.80167.4-72.8-179179.6176.60109.3

Retrieved 345 of 345 residues in 269.6 ms (Link to these results)

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